data_2jnu_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 2jnu _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB3' HD11 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 42' ' ' THR . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.469 HD22 HD23 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.489 HG21 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.521 ' HA ' HD13 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.708 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.545 HG12 ' HB3' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.59 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 45.7 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.55 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.481 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.638 ' H ' HD13 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.708 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.708 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.44 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.523 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.463 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.559 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.61 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.559 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.442 ' NE2' HE22 ' A' ' 106' ' ' GLN . 80.1 mm-40 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.526 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' A' ' 72' ' ' PHE . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.47 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 4.2 t-20 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.654 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.501 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.43 ' SD ' ' NE2' ' A' ' 51' ' ' GLN . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.495 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.597 ' HE1' ' HA ' ' A' ' 113' ' ' MET . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.404 ' O ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 128' ' ' ARG . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.54 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.404 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 3.8 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.573 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.447 ' HA ' HD11 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.499 ' HG3' HD12 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.488 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG22 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' N ' HD11 ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.573 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.584 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CE1' ' HZ2' ' A' ' 88' ' ' TRP . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.414 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.534 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.466 ' SD ' HG11 ' A' ' 41' ' ' VAL . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.465 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 126' ' ' LEU . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.687 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.687 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 126' ' ' LEU . 77.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 37' ' ' SER . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 32' ' ' LEU . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.729 ' HZ3' ' HB3' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' HZ ' ' HB1' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.543 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.515 ' HB1' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE1' HG21 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.691 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.551 ' H ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.512 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.453 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.486 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB3' HG23 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.416 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.44 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.569 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.555 ' O ' HD21 ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD22 HD22 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.665 HD22 HD22 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' HD11 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.428 ' HB ' HD13 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 94' ' ' LEU . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.483 HD21 HG11 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.627 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.427 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.683 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.506 ' ND2' ' HE1' ' A' ' 113' ' ' MET . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 57.5 tp60 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.577 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.573 HG23 HG13 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.483 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.704 ' H ' HD21 ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 HD23 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.484 HD23 HG11 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.493 HD13 HG13 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.567 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.411 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 HG12 HE21 ' A' ' 60' ' ' GLN . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 54' ' ' PRO . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD13 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.469 HE21 HG12 ' A' ' 53' ' ' ILE . 26.8 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 14.2 mm100 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.446 HD13 ' N ' ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.793 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.487 HG21 ' HG3' ' A' ' 101' ' ' MET . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.733 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.733 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.709 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 113' ' ' MET . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' CD2' HD22 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.429 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.605 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.605 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.477 HG22 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 119' ' ' ALA . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.412 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 25' ' ' LEU . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 1.9 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 126' ' ' LEU . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.669 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.63 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.455 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.581 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.581 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.669 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 HG21 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.536 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' HD21 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.47 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.718 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.507 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.488 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.63 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 130' ' ' CYS . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.429 ' HG ' HD22 ' A' ' 126' ' ' LEU . 67.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.556 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.448 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.461 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.569 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.582 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.707 HD23 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.48 HG11 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.682 ' HG2' ' HE2' ' A' ' 101' ' ' MET . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.707 ' SD ' HD23 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.455 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.448 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.556 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 124' ' ' SER . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.466 HD13 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.471 HG21 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 79' ' ' SER . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HE2' ' A' ' 113' ' ' MET . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.611 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.578 ' HB3' HD11 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB1' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.649 HG21 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.703 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.461 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.703 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.566 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.566 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.517 HD13 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.628 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.575 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' HD13 ' A' ' 32' ' ' LEU . 46.5 m-20 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HA ' HE21 ' A' ' 63' ' ' GLN . 8.3 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.419 HE21 ' HA ' ' A' ' 60' ' ' GLN . 48.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 25.2 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.526 ' HA ' HD21 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.442 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.554 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.425 HD21 HG11 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.551 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.551 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.41 ' HB3' HD11 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.424 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 21.5 mm-40 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.453 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 28.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.593 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.506 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.809 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.809 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.408 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.662 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.536 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.404 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.418 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.427 ' CE2' HD23 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HD22 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.2 mm-40 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.456 HD22 HD11 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.488 HD22 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.488 ' ND2' HD22 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.431 ' SG ' HD11 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CD1' ' HE2' ' A' ' 101' ' ' MET . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.524 ' HA ' HD13 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.416 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.525 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.525 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.41 ' N ' HD11 ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.45 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD23 HG11 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 102' ' ' PHE . 1.7 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 111' ' ' ASN . 24.2 tp60 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.573 HD22 ' HA ' ' A' ' 108' ' ' GLN . 10.3 p30 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.411 ' HE2' ' ND2' ' A' ' 40' ' ' ASN . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.513 ' HB3' HD11 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CG ' HD22 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.452 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.501 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.415 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.703 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.45 ' N ' HD21 ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.545 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.703 ' HE2' ' HA ' ' A' ' 93' ' ' VAL . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.432 ' HG2' HD13 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 24.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.561 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.561 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.741 ' SG ' HG13 ' A' ' 8' ' ' VAL . 48.9 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.511 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.0 mm-40 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.555 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.652 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 11.7 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.518 HD21 HD21 ' A' ' 112' ' ' LEU . 60.0 t30 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.671 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.469 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.517 ' HA ' HD22 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.652 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 82' ' ' ASN . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.543 HD22 HD22 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.543 HD22 HD22 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.4 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.636 ' HB3' ' HE1' ' A' ' 101' ' ' MET . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.525 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 2.4 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.485 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.663 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.409 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.658 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 100' ' ' ASP . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.636 ' HE1' ' HB3' ' A' ' 47' ' ' CYS . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' N ' ' HG2' ' A' ' 101' ' ' MET . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.658 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.4 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.566 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . 0.512 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.683 0.277 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.486 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.666 HD23 HD22 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.666 HD22 HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.54 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.441 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.444 ' H ' HG21 ' A' ' 81' ' ' VAL . 5.5 t30 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.615 HG11 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.504 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 98' ' ' ARG . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG11 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB2' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.578 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.42 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.536 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.558 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.674 HD13 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.674 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.548 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.777 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.705 HD22 HD22 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.497 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HG3' HE21 ' A' ' 51' ' ' GLN . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.587 HE21 ' HG3' ' A' ' 48' ' ' GLU . 29.3 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 55' ' ' ALA . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' SER . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' ILE . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 54' ' ' PRO . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD13 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.815 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.815 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.402 HD13 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' HD22 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' HE1' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.491 ' HE1' ' HA ' ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.598 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.445 ' NE2' ' H ' ' A' ' 105' ' ' GLN . 1.8 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.695 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.695 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.418 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' SER . . . . . 0.435 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.514 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.521 ' HB2' HG12 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 25.6 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HA ' HE21 ' A' ' 63' ' ' GLN . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 60' ' ' GLN . 50.9 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.52 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.557 ' CZ3' ' HA2' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . 0.557 ' HA2' ' CZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.649 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.588 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.604 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.604 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.426 ' O ' HD21 ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.523 ' HB3' HD13 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.464 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' HG2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TRP . . . . . 0.464 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.554 ' HA ' HD11 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.527 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.548 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TRP . . . . . 0.571 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.671 HD11 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.525 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' MET . . . . . 0.671 ' SD ' HD11 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' MET . . . . . 0.453 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' SER . . . . . 0.453 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.443 0.164 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt 63.19 18.26 10.83 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.077 0.551 . . . . 0.0 111.406 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 p -76.36 -32.05 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -134.16 164.35 27.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.195 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -137.38 160.13 39.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.576 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.495 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 10.4 mm-40 -65.3 162.96 35.97 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.23 -141.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 122.36 2.04 . . . . 0.0 110.727 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.55 -16.31 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 121.994 -0.441 . . . . 0.0 111.098 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.495 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.4 ' HB3' HD11 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.462 HD12 ' HG3' ' A' ' 6' ' ' GLN . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.4 HD11 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.485 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.476 ' O ' ' HB1' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 42' ' ' THR . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.469 HD22 HD23 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.523 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.489 HG21 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.406 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.545 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.41 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.489 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.521 ' HA ' HD13 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.592 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.708 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.545 HG12 ' HB3' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.534 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.59 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 45.7 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.55 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.59 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.586 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.481 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.55 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.638 ' H ' HD13 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.523 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.523 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.592 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.708 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.708 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.44 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.412 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.523 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.463 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.406 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m -97.54 -12.34 22.68 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.96 -44.75 6.88 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.676 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.449 HD12 ' O ' ' A' ' 135' ' ' ALA . 1.3 pt? -161.88 172.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.61 -174.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -146.82 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.322 0.582 . . . . 0.0 110.233 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -76.99 -5.08 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.706 177.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.449 ' O ' HD12 ' A' ' 132' ' ' LEU . . . 71.13 -77.15 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.843 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.8 mtm 58.0 -91.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.976 0.51 . . . . 0.0 111.038 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -81.11 85.88 6.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.31 0.576 . . . . 0.0 109.46 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -120.28 151.59 38.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.924 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.91 84.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.419 0.628 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.7 mm100 -100.42 144.06 27.72 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.166 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.9 Cg_exo -67.61 71.61 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.437 2.091 . . . . 0.0 111.421 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -58.74 -23.7 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.89 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.559 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.413 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.474 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.61 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.61 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.425 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.559 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.495 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.419 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.442 ' NE2' HE22 ' A' ' 106' ' ' GLN . 80.1 mm-40 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.501 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.546 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.407 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' HB3' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.42 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.42 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.555 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.526 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.463 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.555 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.526 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.432 HD11 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.463 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.435 HG21 ' HB3' ' A' ' 72' ' ' PHE . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.47 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 4.2 t-20 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.473 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.47 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . 0.473 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.533 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.421 ' N ' HD13 ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.438 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.438 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.654 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.555 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.654 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.501 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.43 ' SD ' ' NE2' ' A' ' 51' ' ' GLN . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.483 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.495 ' HG2' ' SG ' ' A' ' 47' ' ' CYS . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.597 ' HE1' ' HA ' ' A' ' 113' ' ' MET . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.404 ' O ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 128' ' ' ARG . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.37 -23.67 67.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.14 -69.84 0.63 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.253 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -169.68 -47.03 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.838 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -174.3 -28.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.11 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -135.37 146.42 48.35 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.32 -47.15 68.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.63 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.406 178.6 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.675 0.274 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.4 mmt -72.4 -51.2 21.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.133 0.492 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 t -126.7 166.74 16.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.453 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.692 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 23.7 tt0 -150.77 -171.0 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.692 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 37.6 mt-10 67.35 71.67 0.35 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.225 0.536 . . . . 0.0 109.935 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -108.26 105.7 57.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.516 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.07 155.05 29.59 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.713 2.275 . . . . 0.0 111.088 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.01 -22.86 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.422 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.54 HD13 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.529 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.402 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.54 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.513 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.524 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.648 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.485 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.404 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.535 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.535 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 3.8 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.499 HD12 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.573 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 ' HA ' HD11 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.507 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.499 ' HG3' HD12 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.539 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.537 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.488 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.539 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.537 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.485 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG22 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.568 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.568 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' N ' HD11 ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.496 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.492 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.584 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.573 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.584 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.497 ' CE1' ' HZ2' ' A' ' 88' ' ' TRP . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.414 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.414 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.534 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.496 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.537 HD13 HG22 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.496 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.466 ' SD ' HG11 ' A' ' 41' ' ' VAL . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.465 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.465 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.422 ' C ' ' H ' ' A' ' 126' ' ' LEU . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.45 HD22 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.687 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.687 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.45 ' SG ' HD22 ' A' ' 126' ' ' LEU . 77.9 m -69.53 -21.94 63.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.61 -83.8 0.23 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.58 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.459 HD13 ' HB3' ' A' ' 136' ' ' GLU . 94.8 mt -148.3 -47.73 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.528 0.331 . . . . 0.0 110.418 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.11 5.57 4.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.455 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.42 -65.28 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -147.94 -49.64 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.459 ' HB3' HD13 ' A' ' 132' ' ' LEU . 29.8 tt0 . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -67.9 165.31 17.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -60.42 143.22 53.79 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.477 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 33.2 86.93 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.237 1.018 . . . . 0.0 113.301 -169.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -86.36 -55.97 3.66 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.022 -1.444 . . . . 0.0 109.387 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -162.15 137.77 5.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.32 166.76 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.452 2.768 . . . . 0.0 113.685 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.33 -16.8 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD12 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.595 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.563 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.484 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.464 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.404 HD13 ' HB3' ' A' ' 37' ' ' SER . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.404 ' HB3' HD13 ' A' ' 32' ' ' LEU . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.486 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.691 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.486 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.729 ' HZ3' ' HB3' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.486 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' HZ ' ' HB1' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.512 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.543 ' HA ' HD13 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.515 ' HB1' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB3' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.4 ' CE1' HG21 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.544 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.691 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.549 HG21 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.565 HG23 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.604 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.551 ' H ' HD21 ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.489 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.512 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.453 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.486 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' HB3' HG23 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.421 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.416 HD13 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.44 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.569 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.569 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.41 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.555 ' O ' HD21 ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.408 ' HD3' ' O ' ' A' ' 136' ' ' GLU . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m -85.33 -37.14 20.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.446 ' HB3' HD23 ' A' ' 132' ' ' LEU . 53.7 tp -91.93 -60.12 1.94 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.571 ' HB3' ' HB1' ' A' ' 135' ' ' ALA . 2.7 mm? -89.85 -22.81 21.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.367 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.51 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.368 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -116.74 -14.68 10.77 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.77 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.571 ' HB1' ' HB3' ' A' ' 132' ' ' LEU . . . -71.93 87.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.408 ' O ' ' HD3' ' A' ' 128' ' ' ARG . 1.1 mp0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.16 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ttt 70.05 23.86 5.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.542 0.687 . . . . 0.0 110.187 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -161.21 -33.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.396 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.704 ' HG2' HD21 ' A' ' 13' ' ' LEU . 2.4 mm-40 53.21 -86.88 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.886 0.874 . . . . 0.0 111.982 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.636 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 72.9 mm-40 -130.81 153.74 48.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.782 -171.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.444 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 34.7 tt0 -68.28 -43.97 35.17 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.114 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.636 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 52.5 Cg_exo -56.23 -172.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.492 2.128 . . . . 0.0 114.037 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m -55.5 -11.91 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.129 -0.941 . . . . 0.0 113.251 -174.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.704 HD21 ' HG2' ' A' ' 4' ' ' GLU . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.616 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.616 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.583 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD22 HD22 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.583 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.665 HD22 HD22 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.507 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.455 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.455 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.547 ' HA ' HD11 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.472 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.594 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.594 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.455 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.428 ' HB ' HD13 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.434 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.562 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.562 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.552 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.454 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.483 HG11 HD21 ' A' ' 94' ' ' LEU . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.483 HD21 HG11 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.627 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.427 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.627 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.503 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.436 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.683 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t -69.68 -27.54 65.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.99 -7.46 51.95 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.048 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 135' ' ' ALA . 3.2 tm? -76.62 104.64 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 110.448 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -147.96 20.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.882 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.84 -20.92 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.473 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.455 ' HB2' HD21 ' A' ' 132' ' ' LEU . . . -64.77 -59.97 3.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.893 0.377 . . . . 0.0 111.175 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.595 -178.746 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.354 0.121 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 67.2 131.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.125 0.57 . . . . 0.0 111.482 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p -78.19 70.78 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.314 0.578 . . . . 0.0 110.864 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.77 -33.34 66.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.86 174.07 0.3 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -166.55 154.44 9.22 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.757 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -76.6 159.82 35.26 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.685 2.257 . . . . 0.0 111.365 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.94 -19.07 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.559 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.419 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.559 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.477 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.477 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.416 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.467 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.543 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.543 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.506 ' ND2' ' HE1' ' A' ' 113' ' ' MET . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.482 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.482 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.52 ' HA ' HD12 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.416 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 57.5 tp60 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.52 HD12 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.416 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.577 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.573 HG13 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.573 HG23 HG13 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.483 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.704 ' H ' HD21 ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.451 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 HD23 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.484 HD23 HG11 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.449 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.412 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.493 HD13 HG13 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.412 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.567 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.567 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.419 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.445 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.411 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.445 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m -83.23 -27.0 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.71 -37.4 62.59 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.504 HD11 ' O ' ' A' ' 132' ' ' LEU . 4.3 pp -69.16 137.96 53.76 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.334 0.588 . . . . 0.0 111.292 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -164.3 -43.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.69 -150.38 0.15 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.178 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 63.85 -70.86 0.07 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.826 0.45 . . . . 0.0 111.45 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 175.022 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.616 0.246 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.29 -44.05 80.21 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.472 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 m 63.76 90.76 0.08 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.658 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -115.88 136.25 53.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.857 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' HG2' ' HG2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -168.07 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.496 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 26.0 pt20 -172.57 77.26 0.44 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.563 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.46 34.09 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.853 2.369 . . . . 0.0 112.539 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.84 -37.75 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.557 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.557 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.434 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.453 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 HG21 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.603 ' HZ1' ' HB3' ' A' ' 45' ' ' LYS . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.444 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 HG12 HE21 ' A' ' 60' ' ' GLN . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.489 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 54' ' ' PRO . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD13 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.469 HE21 HG12 ' A' ' 53' ' ' ILE . 26.8 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.483 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 14.2 mm100 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.483 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . 0.464 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.487 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.487 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.446 HD13 ' N ' ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.522 ' HB ' HD12 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.501 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.793 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.487 HG21 ' HG3' ' A' ' 101' ' ' MET . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.477 HD23 HG11 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.733 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.428 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.733 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.709 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.526 ' O ' ' HG2' ' A' ' 113' ' ' MET . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' CD2' HD22 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.429 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.605 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.53 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.605 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.499 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.477 HG22 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.499 ' HD3' ' O ' ' A' ' 119' ' ' ALA . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.452 ' O ' HD12 ' A' ' 131' ' ' LEU . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m -69.5 -31.49 69.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 127' ' ' TYR . 10.8 mp -70.04 -59.73 2.73 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.982 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.551 HD22 ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -174.18 158.82 3.09 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.714 176.198 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -141.24 24.15 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.396 0.617 . . . . 0.0 110.072 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.5 118.49 32.82 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.993 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 77.36 -64.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.226 0.953 . . . . 0.0 111.306 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.551 ' HB2' HD22 ' A' ' 132' ' ' LEU . 1.9 mp0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.21 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.6 mtp 64.38 -179.02 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.078 0.551 . . . . 0.0 110.9 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 t -115.12 168.8 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.377 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.0 -178.7 6.63 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.224 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.61 139.14 54.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.327 0.584 . . . . 0.0 112.111 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -106.2 162.47 19.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.369 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.89 167.91 2.77 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.452 2.101 . . . . 0.0 112.822 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.34 -29.08 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.412 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' CE2' HD23 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' NH1' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.482 HD11 ' HG ' ' A' ' 25' ' ' LEU . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 1.9 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.447 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 HD12 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' HB3' HD21 ' A' ' 126' ' ' LEU . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.669 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.63 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.455 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.429 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.581 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.547 ' HE2' HD12 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.49 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.581 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.49 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.442 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.47 ' HB1' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.423 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.641 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.548 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.641 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.669 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.507 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG12 HG21 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.536 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.536 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.521 ' HA ' HD21 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.442 HG12 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.521 HD21 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.47 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.718 ' HE2' ' HA ' ' A' ' 101' ' ' MET . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.443 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.552 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.507 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.488 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.63 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.421 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.429 HD22 ' HG ' ' A' ' 130' ' ' CYS . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.413 ' O ' HD12 ' A' ' 131' ' ' LEU . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.429 ' HG ' HD22 ' A' ' 126' ' ' LEU . 67.7 m -72.51 -31.81 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 127' ' ' TYR . 11.2 mp -86.52 -15.18 40.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.37 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.08 105.35 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.618 0.574 . . . . 0.0 110.053 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.28 16.23 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.864 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.49 108.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -138.87 -62.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.412 . . . . 0.0 111.312 -174.75 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.481 ' SD ' HG23 ' A' ' 3' ' ' THR . 0.2 OUTLIER -146.35 -57.3 0.29 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -177.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.481 HG23 ' SD ' ' A' ' 2' ' ' MET . 10.1 t -167.13 149.12 5.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -77.19 -20.96 54.69 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.759 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 58.66 71.37 0.59 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.696 178.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.404 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tp-100 -94.73 -50.95 0.25 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.636 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.404 ' HD2' ' N ' ' A' ' 6' ' ' GLN . 67.3 Cg_endo -71.99 152.44 57.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 121.859 1.706 . . . . 0.0 112.869 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.31 -12.63 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.524 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.576 HD11 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.576 ' HG ' HD11 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.497 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.556 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.448 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.461 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.418 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.437 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.447 HG11 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.569 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.403 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.412 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.412 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.459 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.503 ' HA ' HD13 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.503 HD13 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.495 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.495 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.531 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.582 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.498 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.582 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.422 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.498 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.488 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.479 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.707 HD23 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.538 ' HA ' HD21 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.48 HG11 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.538 HD21 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.682 ' HG2' ' HE2' ' A' ' 101' ' ' MET . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.413 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.707 ' SD ' HD23 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.407 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.569 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.435 ' HG2' HG23 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.488 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.455 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.455 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.448 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.556 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.402 ' HA ' ' HD3' ' A' ' 125' ' ' PRO . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 124' ' ' SER . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.463 ' O ' HD23 ' A' ' 131' ' ' LEU . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m -77.74 -27.3 50.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.464 ' HB3' HD13 ' A' ' 132' ' ' LEU . 3.5 mm? -85.52 -51.49 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.826 -176.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD13 ' HB3' ' A' ' 131' ' ' LEU . 6.4 mp -106.03 94.14 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 111.008 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.73 18.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.745 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.31 114.81 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.788 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 71.63 -67.74 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.423 0.689 . . . . 0.0 111.795 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 123.719 0.808 . . . . 0.0 111.547 -176.154 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.1 ttm -158.43 97.13 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 t -154.2 21.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.442 0.639 . . . . 0.0 109.787 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.603 ' HG2' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.19 -167.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.268 -172.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.78 -0.59 18.78 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.258 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.603 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 44.8 mt-30 60.65 84.38 0.2 Allowed Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -84.0 -166.63 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.914 2.409 . . . . 0.0 112.651 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.05 -12.92 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.114 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.56 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.56 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.466 HD13 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.466 HD21 HD13 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.437 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.471 HG21 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.441 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.459 ' HG2' ' HB3' ' A' ' 79' ' ' SER . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.423 ' ND2' ' HE2' ' A' ' 113' ' ' MET . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.611 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.611 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.436 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.578 HD11 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.461 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.578 ' HB3' HD11 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HB1' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.491 ' HG3' HD13 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.473 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.643 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.459 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.517 ' HB ' HD13 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.573 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.643 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' HB3' ' HB ' ' A' ' 93' ' ' VAL . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.515 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.649 HG21 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.703 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.51 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.461 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.703 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.566 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.566 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.499 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.517 HD13 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.434 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.628 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.628 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.458 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.419 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . 0.441 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.458 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.556 ' HB2' ' HB2' ' A' ' 136' ' ' GLU . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m -73.35 -28.35 62.01 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 132' ' ' LEU . 10.0 mp -73.75 -79.62 0.08 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 131' ' ' LEU . 7.7 mp -127.59 -68.09 0.8 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 177.35 -149.58 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.04 -5.15 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.023 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.88 63.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.552 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.556 ' HB2' ' HB2' ' A' ' 128' ' ' ARG . 3.1 mp0 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.901 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 40.8 ttm 61.98 175.81 0.13 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.2 t 45.18 42.55 7.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.663 0.744 . . . . 0.0 110.816 -178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.25 -111.76 0.24 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.519 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 52.98 -162.48 0.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.048 0.139 . . . . 0.0 111.207 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 69.3 154.88 0.15 Allowed Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 122.754 0.422 . . . . 0.0 110.695 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.406 ' HB2' ' H ' ' A' ' 8' ' ' VAL . 67.3 Cg_endo -73.68 -145.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.309 2.006 . . . . 0.0 110.26 170.702 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.406 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 29.2 m -57.62 -12.36 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 175.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.575 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.575 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.421 HD11 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.421 ' HG ' HD11 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' O ' HG23 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.54 HG23 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.424 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.537 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.52 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.52 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.473 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.416 ' ND2' HD13 ' A' ' 32' ' ' LEU . 46.5 m-20 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.508 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.57 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.419 ' HA ' HE21 ' A' ' 63' ' ' GLN . 8.3 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.419 HE21 ' HA ' ' A' ' 60' ' ' GLN . 48.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.442 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 25.2 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.526 ' HA ' HD21 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.512 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.57 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.442 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.512 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.41 HD11 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.57 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.554 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.56 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.425 HD21 HG11 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.551 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.551 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.41 ' HB3' HD11 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.466 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.45 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.45 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.429 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.424 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.431 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -80.72 -27.05 37.05 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.83 -28.66 67.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.7 mt 59.69 -85.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.97 100.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 67.22 15.23 9.97 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 74.38 -48.63 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.697 0.799 . . . . 0.0 112.342 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.236 0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.481 -179.248 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.623 0.249 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -137.81 11.95 2.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.471 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -97.96 172.97 7.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.648 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.59 171.73 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.651 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.88 130.7 39.84 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.069 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.48 137.48 14.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.965 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.89 165.09 24.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.335 2.023 . . . . 0.0 111.645 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.04 -15.27 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.526 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.418 ' HB1' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.406 ' CE2' HD21 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.496 HD11 HD23 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.446 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 21.5 mm-40 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.496 HD23 HD11 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.427 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.563 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.446 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.453 ' HB3' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.567 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.486 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.567 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.662 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.436 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.453 HG12 ' HB3' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.427 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 28.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.593 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.506 HD12 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.499 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.459 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.431 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.593 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.809 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.809 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.506 ' CZ2' HD12 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.408 ' H ' HD13 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.411 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.662 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.536 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.451 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.536 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.576 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.404 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.495 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.404 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.418 ' CE2' ' HB1' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.456 HH21 ' HB3' ' A' ' 134' ' ' GLU . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.51 -27.23 69.0 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.46 -27.86 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.233 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt 62.68 22.2 13.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -97.36 102.55 14.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.456 ' HB3' HH21 ' A' ' 128' ' ' ARG . 42.7 tt0 61.29 72.74 0.5 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.056 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -178.34 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.653 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.973 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.447 ' O ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -67.11 -26.36 66.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 109.809 -179.103 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.8 m 76.67 97.21 0.07 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.344 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.57 69.86 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.01 0.91 . . . . 0.0 109.689 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -82.99 56.35 3.44 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.217 -176.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -83.7 157.01 64.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 67.35 0.87 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.613 2.209 . . . . 0.0 110.847 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.409 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m -72.24 -9.86 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.624 -172.717 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' HB3' ' HG ' ' A' ' 131' ' ' LEU . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.409 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.427 ' CE2' HD23 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.456 HD11 HD22 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.2 mm-40 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.456 HD22 HD11 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.488 HD22 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.49 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.488 ' ND2' HD22 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.526 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.516 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.526 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.431 ' SG ' HD11 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.424 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CD1' ' HE2' ' A' ' 101' ' ' MET . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.435 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.524 ' HA ' HD13 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.496 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.429 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.431 HD11 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.451 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.533 ' O ' ' HA ' ' A' ' 77' ' ' ALA . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.416 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.525 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.486 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.533 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.49 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.47 HD11 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.525 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.41 ' N ' HD11 ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.45 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.474 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD23 HG11 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.574 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.474 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.473 ' NE2' ' HA ' ' A' ' 102' ' ' PHE . 1.7 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.573 ' HA ' HD22 ' A' ' 111' ' ' ASN . 24.2 tp60 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.573 HD22 ' HA ' ' A' ' 108' ' ' GLN . 10.3 p30 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.411 ' HE2' ' ND2' ' A' ' 40' ' ' ASN . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.443 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.482 ' O ' HD12 ' A' ' 131' ' ' LEU . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.569 ' HA ' ' HB2' ' A' ' 131' ' ' LEU . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.38 -27.05 13.37 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.569 ' HB2' ' HA ' ' A' ' 128' ' ' ARG . 10.8 mp -80.27 -5.13 55.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.744 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.73 13.29 0.38 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 131' ' ' LEU . . . -70.08 77.92 0.5 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.226 0.536 . . . . 0.0 110.667 177.295 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -114.95 -42.99 3.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.679 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.56 -30.24 15.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.17 171.29 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 92.1 mmm -70.76 142.09 51.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -65.54 111.87 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -116.98 127.86 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -119.8 118.06 29.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -79.48 131.55 64.75 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.31 158.27 51.92 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.303 2.002 . . . . 0.0 111.346 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.741 HG13 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m -62.38 -14.2 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 -178.209 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' HB3' HD11 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.453 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.545 HD13 HD23 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.545 HD23 HD13 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.556 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' CG ' HD22 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.424 ' HB2' HD13 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.421 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.452 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.415 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.456 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.493 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.43 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.503 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.43 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.445 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.412 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.479 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.501 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.407 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.441 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.479 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.501 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.432 ' HB3' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.415 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.432 HD13 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.408 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.408 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.452 ' N ' HD13 ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.465 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.703 ' HA ' ' HE2' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.45 ' N ' HD21 ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.465 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.534 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.545 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.703 ' HE2' ' HA ' ' A' ' 93' ' ' VAL . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.432 ' HG2' HD13 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.446 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 24.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.561 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.561 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.453 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.466 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.466 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.434 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.434 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.741 ' SG ' HG13 ' A' ' 8' ' ' VAL . 48.9 t -72.17 -30.6 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 172.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 65.75 -76.79 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.36 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -151.45 -70.3 0.17 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -109.22 -80.08 0.58 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.353 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -174.75 102.78 0.09 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.788 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.8 mmt -68.64 -34.98 76.65 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -78.23 166.57 22.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.12 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.421 ' O ' HD12 ' A' ' 13' ' ' LEU . 38.4 tt0 -75.1 -30.39 60.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.562 0.22 . . . . 0.0 111.234 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 58.13 70.52 0.65 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 109.557 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.578 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 91.3 mt-30 -65.92 -42.97 56.39 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.79 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.578 ' HD2' ' N ' ' A' ' 6' ' ' GLN . 36.8 Cg_endo -64.76 -162.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 121.863 1.709 . . . . 0.0 112.269 177.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.504 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m -60.89 -11.39 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.754 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.476 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.421 HD12 ' O ' ' A' ' 4' ' ' GLU . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.445 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.445 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.541 HD11 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.511 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.0 mm-40 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.541 ' HG ' HD11 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.553 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.555 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.558 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.652 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 11.7 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.425 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.514 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.514 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.423 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.579 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.449 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.579 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.449 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.518 HD21 HD21 ' A' ' 112' ' ' LEU . 60.0 t30 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.671 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.455 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.455 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.469 ' H ' HD13 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.57 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.517 ' HA ' HD22 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.57 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.517 HD22 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.408 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.453 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.453 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.652 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.52 HD13 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.518 HD21 HD21 ' A' ' 82' ' ' ASN . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.504 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t -76.12 -30.24 58.13 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.08 -24.97 63.31 Favored 'General case' 0 C--O 1.231 0.132 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 170.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.9 tp 74.22 -56.39 0.64 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.179 0.925 . . . . 0.0 111.259 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 135' ' ' ALA . . . 65.79 -86.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.53 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.57 0.748 . . . . 0.0 112.22 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 133' ' ' ALA . . . -63.64 -28.49 69.95 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.733 0.413 . . . . 0.0 110.816 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.448 175.126 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.42 ' N ' ' SD ' ' A' ' 2' ' ' MET . 15.6 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.42 ' SD ' ' N ' ' A' ' 1' ' ' SER . 2.9 mpp? -142.92 1.52 1.29 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.561 -176.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -147.56 27.27 1.01 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.103 0.477 . . . . 0.0 111.582 -172.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -86.74 -175.93 5.6 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 62.77 -174.75 0.15 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.043 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -84.09 152.01 61.21 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.315 -174.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_exo -67.94 -147.3 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.193 2.595 . . . . 0.0 112.504 177.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m -50.67 -25.28 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.411 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.504 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.543 HD22 HD22 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.448 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.543 HD22 HD22 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.4 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.636 ' HB3' ' HE1' ' A' ' 101' ' ' MET . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.525 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 2.4 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.485 ' O ' ' HB1' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.485 ' HB1' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.484 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.462 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.484 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.571 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.663 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.429 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.571 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.663 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.534 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.429 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.479 ' HB ' HD13 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.409 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.658 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' HA ' HD22 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.503 HD22 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.407 ' HG3' ' HB2' ' A' ' 100' ' ' ASP . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.407 ' HB2' ' HG3' ' A' ' 98' ' ' ARG . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.636 ' HE1' ' HB3' ' A' ' 47' ' ' CYS . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' N ' ' HG2' ' A' ' 101' ' ' MET . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.658 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.4 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.6 HE21 ' HA ' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.479 HD13 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.566 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.416 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.566 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.413 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.447 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . 0.512 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.55 -17.16 49.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' GLU . 27.1 tp -68.95 -64.26 0.9 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 50.39 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 172.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' LEU . 36.3 tt0 -84.78 -30.61 24.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -172.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.13 77.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 111.247 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -88.09 -65.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m -157.1 -61.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.769 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.84 146.11 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 176.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -146.08 75.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.176 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.403 ' HB2' ' HB2' ' A' ' 9' ' ' ALA . 87.2 mm-40 -147.49 151.68 40.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.192 -178.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -47.83 -48.88 14.86 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.805 2.336 . . . . 0.0 112.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.32 -12.41 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.446 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' HB2' ' HB2' ' A' ' 6' ' ' GLN . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.484 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.486 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.423 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.666 HD23 HD22 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.468 ' O ' HG23 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.666 HD22 HD23 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.555 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.497 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.47 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.441 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.541 ' HA ' HD13 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.54 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.541 HD13 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.441 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.478 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.565 ' HA ' HD12 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.467 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.544 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.478 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.467 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.444 HG21 ' H ' ' A' ' 82' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.444 ' H ' HG21 ' A' ' 81' ' ' VAL . 5.5 t30 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.523 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.544 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.501 HD11 ' H ' ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.615 HG11 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.448 HD23 ' N ' ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.504 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 98' ' ' ARG . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.615 ' SD ' HG11 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.456 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.578 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.411 ' HB2' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.411 ' NE2' ' HB2' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.578 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.42 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.42 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.536 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.536 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.02 -47.53 36.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.18 -39.3 94.24 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.195 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -101.07 20.75 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.983 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.34 -42.09 52.45 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.505 0.503 . . . . 0.0 111.287 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.1 73.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -176.69 -67.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.958 -175.624 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.617 0.246 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptp -178.29 -36.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.909 0.385 . . . . 0.0 110.252 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -84.88 60.63 6.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.319 0.581 . . . . 0.0 110.754 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.82 -172.71 2.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 71.09 -68.37 0.22 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.928 0.768 . . . . 0.0 111.122 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 64.5 115.69 0.02 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 O-C-N 123.758 0.661 . . . . 0.0 111.491 -177.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.09 69.76 3.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.448 2.098 . . . . 0.0 111.177 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.558 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m -55.26 -42.35 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.674 HD13 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.674 ' HG ' HD13 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.548 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.777 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.548 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.777 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.485 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.705 HD22 HD22 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.532 HG21 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.497 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.497 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.598 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.587 ' HG3' HE21 ' A' ' 51' ' ' GLN . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.587 HE21 ' HG3' ' A' ' 48' ' ' GLU . 29.3 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.421 ' C ' ' H ' ' A' ' 55' ' ' ALA . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' C ' ' H ' ' A' ' 56' ' ' SER . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 53' ' ' ILE . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 54' ' ' PRO . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD13 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.427 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.815 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.815 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.485 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.402 HD13 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.504 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.504 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.527 ' HA ' HD22 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' HE1' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.527 HD22 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.454 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.491 ' HE1' ' HA ' ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.598 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.445 ' NE2' ' H ' ' A' ' 105' ' ' GLN . 1.8 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . 0.437 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.438 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.695 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.695 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.418 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . 0.435 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.444 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.444 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m -77.73 -25.91 49.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.486 ' HA ' HG22 ' A' ' 8' ' ' VAL . 8.9 mp -60.38 -42.65 96.29 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.51 175.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.458 HD21 ' H ' ' A' ' 135' ' ' ALA . 2.0 tt 66.95 -73.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.69 0.619 . . . . 0.0 110.089 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 73.67 -40.15 0.45 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.754 0.821 . . . . 0.0 112.816 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -65.71 -19.19 65.8 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.259 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . 0.458 ' H ' HD21 ' A' ' 132' ' ' LEU . . . -148.06 130.21 15.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.699 -177.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.486 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -63.07 -31.57 72.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.071 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 m -78.23 111.32 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.157 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.05 -36.13 36.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.678 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 mt-10 -109.96 115.95 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.533 ' HB3' ' HB1' ' A' ' 9' ' ' ALA . 1.7 mp0 -98.54 100.42 9.33 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.49 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 6.2 Cg_exo -78.91 -68.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.912 2.408 . . . . 0.0 111.803 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG22 HD12 ' A' ' 131' ' ' LEU . 33.6 m -65.9 -17.18 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.251 -174.236 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.533 ' HB1' ' HB3' ' A' ' 6' ' ' GLN . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.514 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.569 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.569 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG23 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.47 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.536 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.521 ' HB2' HG12 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.536 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.52 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.432 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 25.6 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.503 HD13 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.588 ' HB3' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.439 ' HA ' HE21 ' A' ' 63' ' ' GLN . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.439 HE21 ' HA ' ' A' ' 60' ' ' GLN . 50.9 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.503 ' HG3' HD13 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.52 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.544 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.419 ' C ' ' HB2' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.544 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.492 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.492 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.521 HG12 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.434 HD12 ' N ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.557 ' CZ3' ' HA2' ' A' ' 90' ' ' GLY . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . 0.557 ' HA2' ' CZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.708 HG21 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.649 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.588 ' HG3' ' HB3' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.524 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.708 ' SD ' HG21 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.461 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.604 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.461 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.604 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . 0.42 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.431 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . 0.42 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.426 ' O ' HD21 ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.469 ' O ' HD11 ' A' ' 131' ' ' LEU . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m -64.3 -41.52 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.485 HD12 HG22 ' A' ' 8' ' ' VAL . 7.5 mp -61.08 -37.38 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.607 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.56 5.04 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.236 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.54 -72.74 0.08 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.696 0.622 . . . . 0.0 111.12 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -114.92 93.85 4.5 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -164.09 134.66 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.476 178.148 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 63.44 -177.77 0.15 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.801 0.441 . . . . 0.0 110.814 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 m -143.98 146.97 33.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.748 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.24 139.28 42.62 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.76 0.314 . . . . 0.0 110.322 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -83.74 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.3 89.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.659 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.95 120.18 7.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.679 2.253 . . . . 0.0 111.709 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.89 -28.37 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.523 ' HB3' HD13 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.523 HD13 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.464 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.405 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.606 ' HB2' HD13 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.433 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' HG2' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TRP . . . . . 0.464 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.533 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.525 ' HB1' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.554 ' HA ' HD11 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . 0.408 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD11 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.408 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.499 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.458 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.571 HD11 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.527 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.527 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.401 ' N ' HD13 ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.458 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.597 HG11 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.548 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TRP . . . . . 0.571 ' CZ2' HD11 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.671 HD11 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.407 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.553 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.44 ' N ' HD21 ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.544 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.525 ' HG3' ' HB1' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' MET . . . . . 0.671 ' SD ' HD11 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.482 ' HB2' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.482 ' NE2' ' HB2' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.414 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' MET . . . . . 0.453 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.453 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.41 -38.92 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.91 -62.24 1.62 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.624 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.41 ' O ' ' HB3' ' A' ' 133' ' ' ALA . 96.9 mt 59.94 -108.87 0.39 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.73 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 132' ' ' LEU . . . 169.03 -60.29 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.355 0.662 . . . . 0.0 109.279 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -151.18 -59.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.36 127.53 14.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.187 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.673 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' HB3' HD13 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.502 HD21 HD21 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.0 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 78' ' ' LEU . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.629 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.738 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.738 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 104' ' ' ALA . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 103' ' ' ARG . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.517 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' LEU . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.407 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.561 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 63.6 t30 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HB ' ' H ' ' A' ' 84' ' ' ASP . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.67 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.67 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.58 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' OE1' ' HA ' ' A' ' 103' ' ' ARG . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.477 ' HA ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 125' ' ' PRO . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.415 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 10.6 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.549 HG23 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.601 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.587 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.601 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.504 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.549 HD13 HG23 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.495 ' HE2' HG23 ' A' ' 109' ' ' ILE . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.701 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' A' ' 126' ' ' LEU . 77.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB3' HD13 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' HZ ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.528 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.563 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HB2' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.616 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.519 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 93' ' ' VAL . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 62' ' ' ALA . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB3' HG21 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.603 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 111' ' ' ASN . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD21 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.665 HD21 HD21 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 13.3 tm0? -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.619 ' H ' HD23 ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG13 HD22 ' A' ' 94' ' ' LEU . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.66 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.636 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 101' ' ' MET . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 8.6 tp-100 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 88.0 mm-40 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.593 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG23 HG12 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.772 ' H ' HD23 ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.529 HG13 HD22 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.529 HD22 HG13 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.426 ' HE1' ' O ' ' A' ' 93' ' ' VAL . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.416 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.56 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' A' ' 126' ' ' LEU . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 51' ' ' GLN . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 84.3 mm-40 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.878 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 89' ' ' LEU . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 94' ' ' LEU . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.772 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.772 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 103' ' ' ARG . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.565 HD11 ' HB ' ' A' ' 81' ' ' VAL . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.549 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.613 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 122' ' ' VAL . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 122' ' ' VAL . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 130' ' ' CYS . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.453 ' HG ' HD23 ' A' ' 126' ' ' LEU . 76.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE2' HD22 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' CE2' ' A' ' 15' ' ' PHE . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 10.8 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.651 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.411 HG22 ' HZ ' ' A' ' 72' ' ' PHE . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.411 ' HZ ' HG22 ' A' ' 42' ' ' THR . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG12 HG23 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.546 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HA ' HD23 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.439 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 126' ' ' LEU . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HD2' HG13 ' A' ' 109' ' ' ILE . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.577 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.492 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.585 ' HA ' HD23 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.577 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HG2' HG22 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.483 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 126' ' ' LEU . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 109' ' ' ILE . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.612 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 101' ' ' MET . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.655 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.551 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.642 HG22 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.631 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' PHE . . . . . 0.443 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.41 HG12 ' HE2' ' A' ' 127' ' ' TYR . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 76.3 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.546 ' HA ' HD23 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.585 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD22 HG13 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.545 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.545 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HB3' HD12 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 110' ' ' PHE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HG2' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 35' ' ' GLU . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.3 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.688 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.445 HG12 ' HB1' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 76.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.811 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 90' ' ' GLY . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.619 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' HD11 ' A' ' 126' ' ' LEU . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 120' ' ' ARG . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' HD21 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.442 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.453 HD13 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.522 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.426 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.534 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.516 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 HG13 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.598 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.491 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 83' ' ' ILE . 25.5 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 112' ' ' LEU . 6.3 tp-100 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' A' ' 35' ' ' GLU . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG11 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.519 ' HB3' HD12 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 HD21 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 HD12 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CG ' HD21 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 26' ' ' ALA . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.54 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.569 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 103' ' ' ARG . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 31.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.751 ' SG ' HG11 ' A' ' 8' ' ' VAL . 48.9 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 ' HH2' ' A' ' 11' ' ' TRP . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.542 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' A' ' 79' ' ' SER . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CB ' HG11 ' A' ' 81' ' ' VAL . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.507 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.686 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.2 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.693 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.686 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.566 HD11 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' SER . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.58 HD21 HD21 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.2 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 58.7 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.584 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.697 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.697 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.53 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.697 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.581 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.683 0.277 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.689 HD21 HD21 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.412 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' HD13 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.495 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 81' ' ' VAL . 21.8 t-20 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.614 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.434 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.561 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.549 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.768 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.757 HD21 HD21 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.85 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.425 HD12 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.571 ' HA ' HD23 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.574 HG22 ' HE2' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.574 ' HE2' HG22 ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 83' ' ' ILE . 25.3 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.442 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.696 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 124' ' ' SER . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.601 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 99.1 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.652 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' A' ' 53' ' ' ILE . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 58' ' ' THR . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.603 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.601 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . 0.563 ' HA2' ' HZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.724 HG23 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.652 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.724 ' SD ' HG23 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.46 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.46 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.49 HE21 ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.608 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TRP . . . . . 0.49 ' HH2' HE21 ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.573 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.583 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.557 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG12 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TRP . . . . . 0.583 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.682 HD13 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.597 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HD13 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' SER . . . . . 0.479 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 120' ' ' ARG . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.608 HD12 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.443 0.164 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt 63.19 18.26 10.83 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.077 0.551 . . . . 0.0 111.406 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 p -76.36 -32.05 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -134.16 164.35 27.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.195 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -137.38 160.13 39.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.576 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 10.4 mm-40 -65.3 162.96 35.97 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.23 -141.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 122.36 2.04 . . . . 0.0 110.727 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.55 -16.31 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 121.994 -0.441 . . . . 0.0 111.098 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' HB3' HD13 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 6' ' ' GLN . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.3 tp60 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.502 HD21 HD21 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.0 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 78' ' ' LEU . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.629 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.472 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.738 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.738 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 104' ' ' ALA . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 103' ' ' ARG . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.517 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m -97.54 -12.34 22.68 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.96 -44.75 6.88 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.676 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 135' ' ' ALA . 1.3 pt? -161.88 172.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.61 -174.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -146.82 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.322 0.582 . . . . 0.0 110.233 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.526 ' H ' ' CD ' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -76.99 -5.08 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.706 177.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 132' ' ' LEU . . . 71.13 -77.15 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.843 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.8 mtm 58.0 -91.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.976 0.51 . . . . 0.0 111.038 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -81.11 85.88 6.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.31 0.576 . . . . 0.0 109.46 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -120.28 151.59 38.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.924 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.91 84.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.419 0.628 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 87.1 mm-40 -100.42 144.06 27.72 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.166 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.9 Cg_exo -67.61 71.61 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.437 2.091 . . . . 0.0 111.421 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -58.74 -23.7 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.89 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' LEU . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.407 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 18.2 mm100 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.44 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 63.6 t30 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HB ' ' H ' ' A' ' 84' ' ' ASP . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.67 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.67 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.58 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' OE1' ' HA ' ' A' ' 103' ' ' ARG . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.477 ' HA ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 125' ' ' PRO . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.37 -23.67 67.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.14 -69.84 0.63 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.253 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -169.68 -47.03 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.838 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -174.3 -28.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.11 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -135.37 146.42 48.35 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.32 -47.15 68.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.63 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.406 178.6 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.675 0.274 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.4 mmt -72.4 -51.2 21.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.133 0.492 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 t -126.7 166.74 16.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.453 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.705 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 23.7 tt0 -150.77 -171.0 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.705 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 37.6 mt-10 67.35 71.67 0.35 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.225 0.536 . . . . 0.0 109.935 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -108.26 105.7 57.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.516 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.07 155.05 29.59 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.713 2.275 . . . . 0.0 111.088 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.01 -22.86 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.415 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 10.6 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG23 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 62.2 tp60 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.515 HD12 ' N ' ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.601 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.587 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.601 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.504 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.549 HD13 HG23 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.495 ' HE2' HG23 ' A' ' 109' ' ' ILE . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.701 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' A' ' 126' ' ' LEU . 77.9 m -69.53 -21.94 63.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.61 -83.8 0.23 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.58 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 136' ' ' GLU . 94.8 mt -148.3 -47.73 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.528 0.331 . . . . 0.0 110.418 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.11 5.57 4.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.455 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.42 -65.28 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -147.94 -49.64 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 132' ' ' LEU . 29.8 tt0 . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -67.9 165.31 17.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -60.42 143.22 53.79 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.477 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 33.2 86.93 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.237 1.018 . . . . 0.0 113.301 -169.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -86.36 -55.97 3.66 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.022 -1.444 . . . . 0.0 109.387 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -162.15 137.77 5.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.32 166.76 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.452 2.768 . . . . 0.0 113.685 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.33 -16.8 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB3' HD13 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' NZ ' ' HB3' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' HZ ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.528 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.563 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HB2' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.616 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.519 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 93' ' ' VAL . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 62' ' ' ALA . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB3' HG21 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.603 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 111' ' ' ASN . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.583 ' O ' HD23 ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 136' ' ' GLU . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m -85.33 -37.14 20.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' HD22 ' A' ' 132' ' ' LEU . 53.7 tp -91.93 -60.12 1.94 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 135' ' ' ALA . 2.7 mm? -89.85 -22.81 21.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.367 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.51 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.368 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -116.74 -14.68 10.77 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.77 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . . . -71.93 87.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 128' ' ' ARG . 1.1 mp0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.16 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ttt 70.05 23.86 5.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.542 0.687 . . . . 0.0 110.187 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -161.21 -33.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.396 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 2.4 mm-40 53.21 -86.88 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.886 0.874 . . . . 0.0 111.982 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 72.9 mm-40 -130.81 153.74 48.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.782 -171.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 34.7 tt0 -68.28 -43.97 35.17 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.114 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 52.5 Cg_exo -56.23 -172.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.492 2.128 . . . . 0.0 114.037 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m -55.5 -11.91 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.129 -0.941 . . . . 0.0 113.251 -174.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 4' ' ' GLU . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.7 tp60 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD21 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.665 HD21 HD21 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 13.3 tm0? -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.619 ' H ' HD23 ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG13 HD22 ' A' ' 94' ' ' LEU . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.66 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t -69.68 -27.54 65.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.99 -7.46 51.95 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.048 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 135' ' ' ALA . 3.2 tm? -76.62 104.64 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 110.448 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -147.96 20.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.882 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.84 -20.92 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.473 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 132' ' ' LEU . . . -64.77 -59.97 3.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.893 0.377 . . . . 0.0 111.175 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.595 -178.746 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.354 0.121 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 67.2 131.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.125 0.57 . . . . 0.0 111.482 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p -78.19 70.78 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.314 0.578 . . . . 0.0 110.864 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.77 -33.34 66.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.86 174.07 0.3 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -166.55 154.44 9.22 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.757 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -76.6 159.82 35.26 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.685 2.257 . . . . 0.0 111.365 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.94 -19.07 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.636 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 101' ' ' MET . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 8.6 tp-100 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 88.0 mm-40 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.593 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG23 HG12 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.772 ' H ' HD23 ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.529 HG13 HD22 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.529 HD22 HG13 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.426 ' HE1' ' O ' ' A' ' 93' ' ' VAL . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.416 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.56 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m -83.23 -27.0 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.71 -37.4 62.59 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 132' ' ' LEU . 4.3 pp -69.16 137.96 53.76 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.334 0.588 . . . . 0.0 111.292 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -164.3 -43.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.69 -150.38 0.15 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.178 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 63.85 -70.86 0.07 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.826 0.45 . . . . 0.0 111.45 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 175.022 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.616 0.246 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.29 -44.05 80.21 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.472 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 m 63.76 90.76 0.08 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.658 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -115.88 136.25 53.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.857 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HG2' ' HG2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -168.07 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 26.0 pt20 -172.57 77.26 0.44 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.563 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.46 34.09 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.853 2.369 . . . . 0.0 112.539 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.84 -37.75 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' A' ' 126' ' ' LEU . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 51' ' ' GLN . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.415 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 84.3 mm-40 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.878 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 89' ' ' LEU . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 94' ' ' LEU . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.772 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.772 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 103' ' ' ARG . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.565 HD11 ' HB ' ' A' ' 81' ' ' VAL . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.549 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.613 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 122' ' ' VAL . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 122' ' ' VAL . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 130' ' ' CYS . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 131' ' ' LEU . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.453 ' HG ' HD23 ' A' ' 126' ' ' LEU . 76.4 m -69.5 -31.49 69.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 127' ' ' TYR . 10.8 mp -70.04 -59.73 2.73 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.982 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -174.18 158.82 3.09 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.714 176.198 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -141.24 24.15 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.396 0.617 . . . . 0.0 110.072 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.5 118.49 32.82 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.993 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 77.36 -64.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.226 0.953 . . . . 0.0 111.306 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.575 ' HB2' HD21 ' A' ' 132' ' ' LEU . 1.9 mp0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.21 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.6 mtp 64.38 -179.02 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.078 0.551 . . . . 0.0 110.9 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 t -115.12 168.8 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.377 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.0 -178.7 6.63 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.224 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.61 139.14 54.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.327 0.584 . . . . 0.0 112.111 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -106.2 162.47 19.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.369 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.89 167.91 2.77 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.452 2.101 . . . . 0.0 112.822 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.34 -29.08 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE2' HD22 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' CE2' ' A' ' 15' ' ' PHE . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 10.8 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.651 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.411 HG22 ' HZ ' ' A' ' 72' ' ' PHE . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.411 ' HZ ' HG22 ' A' ' 42' ' ' THR . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG12 HG23 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.546 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HA ' HD23 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.439 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.415 ' O ' HD23 ' A' ' 126' ' ' LEU . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.433 ' O ' HD13 ' A' ' 131' ' ' LEU . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.7 m -72.51 -31.81 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 127' ' ' TYR . 11.2 mp -86.52 -15.18 40.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.37 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.08 105.35 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.618 0.574 . . . . 0.0 110.053 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.28 16.23 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.864 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.49 108.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -138.87 -62.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.412 . . . . 0.0 111.312 -174.75 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.502 ' SD ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -146.35 -57.3 0.29 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -177.593 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' SD ' ' A' ' 2' ' ' MET . 10.1 t -167.13 149.12 5.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -77.19 -20.96 54.69 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.759 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 33.5 tt0 58.66 71.37 0.59 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.696 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tp-100 -94.73 -50.95 0.25 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.636 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD2' ' H ' ' A' ' 6' ' ' GLN . 67.3 Cg_endo -71.99 152.44 57.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 121.859 1.706 . . . . 0.0 112.869 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.31 -12.63 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.524 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' A' ' 5' ' ' GLU . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HD2' HG13 ' A' ' 109' ' ' ILE . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.577 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.437 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.492 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' HA ' HD23 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.577 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HG2' HG22 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.483 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.421 ' O ' HD23 ' A' ' 126' ' ' LEU . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.487 ' O ' HD23 ' A' ' 131' ' ' LEU . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.401 ' CZ ' HD22 ' A' ' 132' ' ' LEU . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m -77.74 -27.3 50.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 132' ' ' LEU . 3.5 mm? -85.52 -51.49 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.826 -176.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 131' ' ' LEU . 6.4 mp -106.03 94.14 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 111.008 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.73 18.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.745 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.31 114.81 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.788 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 71.63 -67.74 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.423 0.689 . . . . 0.0 111.795 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 123.719 0.808 . . . . 0.0 111.547 -176.154 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.1 ttm -158.43 97.13 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 t -154.2 21.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.442 0.639 . . . . 0.0 109.787 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.672 ' HG2' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.19 -167.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.268 -172.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.78 -0.59 18.78 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.258 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.672 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 44.8 mt-30 60.65 84.38 0.2 Allowed Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -84.0 -166.63 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.914 2.409 . . . . 0.0 112.651 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.05 -12.92 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.114 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.3 tp60 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 109' ' ' ILE . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 65.6 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.612 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 101' ' ' MET . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 30.3 m-80 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.655 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.551 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.642 HG22 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.631 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' PHE . . . . . 0.443 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.41 HG12 ' HE2' ' A' ' 127' ' ' TYR . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' A' ' 136' ' ' GLU . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m -73.35 -28.35 62.01 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 132' ' ' LEU . 10.0 mp -73.75 -79.62 0.08 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 131' ' ' LEU . 7.7 mp -127.59 -68.09 0.8 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 177.35 -149.58 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.04 -5.15 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.023 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.88 63.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.552 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 128' ' ' ARG . 3.1 mp0 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.901 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.419 ' HG2' ' H ' ' A' ' 3' ' ' THR . 40.8 ttm 61.98 175.81 0.13 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 2' ' ' MET . 15.2 t 45.18 42.55 7.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.663 0.744 . . . . 0.0 110.816 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.25 -111.76 0.24 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.519 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 52.98 -162.48 0.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.048 0.139 . . . . 0.0 111.207 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 69.3 154.88 0.15 Allowed Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 122.754 0.422 . . . . 0.0 110.695 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HB2' ' H ' ' A' ' 8' ' ' VAL . 67.3 Cg_endo -73.68 -145.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.309 2.006 . . . . 0.0 110.26 170.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 29.2 m -57.62 -12.36 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 175.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.9 tp60 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 45.5 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 76.3 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' HA ' HD23 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.585 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD22 HG13 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.545 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.545 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HB3' HD12 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 110' ' ' PHE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -80.72 -27.05 37.05 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.83 -28.66 67.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.7 mt 59.69 -85.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.97 100.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 67.22 15.23 9.97 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 74.38 -48.63 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.697 0.799 . . . . 0.0 112.342 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.236 0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.481 -179.248 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.623 0.249 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -137.81 11.95 2.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.471 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -97.96 172.97 7.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.648 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.59 171.73 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.651 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.88 130.7 39.84 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.069 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.48 137.48 14.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.965 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.89 165.09 24.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.335 2.023 . . . . 0.0 111.645 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.04 -15.27 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HG2' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 35' ' ' GLU . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.3 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.688 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.445 HG12 ' HB1' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 76.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.447 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.811 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 90' ' ' GLY . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.619 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 54.5 tp60 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.477 HH21 ' HB3' ' A' ' 134' ' ' GLU . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.51 -27.23 69.0 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.46 -27.86 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.233 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt 62.68 22.2 13.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -97.36 102.55 14.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' HB3' HH21 ' A' ' 128' ' ' ARG . 42.7 tt0 61.29 72.74 0.5 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.056 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -178.34 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.653 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.973 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.447 ' SD ' ' O ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -67.11 -26.36 66.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 109.809 -179.103 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.8 m 76.67 97.21 0.07 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.344 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.57 69.86 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.01 0.91 . . . . 0.0 109.689 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 8.6 pt-20 -82.99 56.35 3.44 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.217 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -83.7 157.01 64.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 67.35 0.87 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.613 2.209 . . . . 0.0 110.847 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m -72.24 -9.86 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.624 -172.717 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HG ' ' A' ' 131' ' ' LEU . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' HD11 ' A' ' 126' ' ' LEU . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 120' ' ' ARG . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' HD21 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.442 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.453 HD13 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.522 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.426 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.534 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.516 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 HG13 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.598 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.491 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.453 ' HB3' HD12 ' A' ' 83' ' ' ILE . 25.5 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.482 ' O ' ' HB2' ' A' ' 112' ' ' LEU . 6.3 tp-100 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' A' ' 35' ' ' GLU . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 131' ' ' LEU . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 131' ' ' LEU . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.38 -27.05 13.37 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 128' ' ' ARG . 10.8 mp -80.27 -5.13 55.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.744 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.73 13.29 0.38 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.08 77.92 0.5 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.226 0.536 . . . . 0.0 110.667 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -114.95 -42.99 3.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.679 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.56 -30.24 15.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.17 171.29 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 92.1 mmm -70.76 142.09 51.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 3' ' ' THR . 9.6 t -65.54 111.87 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -116.98 127.86 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -119.8 118.06 29.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -79.48 131.55 64.75 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.31 158.27 51.92 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.303 2.002 . . . . 0.0 111.346 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG11 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m -62.38 -14.2 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 -178.209 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.519 ' HB3' HD12 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 HD21 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 HD12 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CG ' HD21 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 26' ' ' ALA . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.54 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.452 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.569 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 103' ' ' ARG . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.46 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 31.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.751 ' SG ' HG11 ' A' ' 8' ' ' VAL . 48.9 t -72.17 -30.6 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 172.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 65.75 -76.79 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.36 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -151.45 -70.3 0.17 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -109.22 -80.08 0.58 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.353 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -174.75 102.78 0.09 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.788 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.8 mmt -68.64 -34.98 76.65 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -78.23 166.57 22.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.12 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 13' ' ' LEU . 38.4 tt0 -75.1 -30.39 60.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.562 0.22 . . . . 0.0 111.234 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 58.13 70.52 0.65 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 109.557 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 91.3 mt-30 -65.92 -42.97 56.39 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.79 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 6' ' ' GLN . 36.8 Cg_endo -64.76 -162.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 121.863 1.709 . . . . 0.0 112.269 177.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m -60.89 -11.39 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.754 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 4' ' ' GLU . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 ' HH2' ' A' ' 11' ' ' TRP . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' A' ' 79' ' ' SER . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CB ' HG11 ' A' ' 81' ' ' VAL . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.507 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.686 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.2 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.693 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.686 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.566 HD11 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t -76.12 -30.24 58.13 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.08 -24.97 63.31 Favored 'General case' 0 C--O 1.231 0.132 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 170.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.9 tp 74.22 -56.39 0.64 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.179 0.925 . . . . 0.0 111.259 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 135' ' ' ALA . . . 65.79 -86.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.53 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.57 0.748 . . . . 0.0 112.22 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 133' ' ' ALA . . . -63.64 -28.49 69.95 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.733 0.413 . . . . 0.0 110.816 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.448 175.126 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -142.92 1.52 1.29 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.561 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -147.56 27.27 1.01 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.103 0.477 . . . . 0.0 111.582 -172.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -86.74 -175.93 5.6 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 62.77 -174.75 0.15 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.043 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 mp0 -84.09 152.01 61.21 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.315 -174.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.1 Cg_exo -67.94 -147.3 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.193 2.595 . . . . 0.0 112.504 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m -50.67 -25.28 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' SER . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.58 HD21 HD21 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 12.2 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 58.7 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.584 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.697 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.697 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.53 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.697 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.8 tp60 -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.581 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.55 -17.16 49.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' GLU . 27.1 tp -68.95 -64.26 0.9 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 50.39 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 172.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' LEU . 36.3 tt0 -84.78 -30.61 24.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -172.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.13 77.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 111.247 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -88.09 -65.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m -157.1 -61.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.769 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.84 146.11 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 176.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -146.08 75.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.176 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -147.49 151.68 40.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.192 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -47.83 -48.88 14.86 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.805 2.336 . . . . 0.0 112.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.32 -12.41 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.446 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.689 HD21 HD21 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.412 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' HD13 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.495 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 81' ' ' VAL . 21.8 t-20 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.461 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.614 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.434 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.561 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.02 -47.53 36.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.18 -39.3 94.24 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.195 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -101.07 20.75 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.983 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.34 -42.09 52.45 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.505 0.503 . . . . 0.0 111.287 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.1 73.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -176.69 -67.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.958 -175.624 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.617 0.246 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptp -178.29 -36.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.909 0.385 . . . . 0.0 110.252 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -84.88 60.63 6.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.319 0.581 . . . . 0.0 110.754 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.82 -172.71 2.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 71.09 -68.37 0.22 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.928 0.768 . . . . 0.0 111.122 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.423 HE21 ' HG2' ' A' ' 22' ' ' PRO . 24.5 mp0 64.5 115.69 0.02 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 O-C-N 123.758 0.661 . . . . 0.0 111.491 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.09 69.76 3.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.448 2.098 . . . . 0.0 111.177 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m -55.26 -42.35 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HG2' HE21 ' A' ' 6' ' ' GLN . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.549 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.768 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.757 HD21 HD21 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.85 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.436 HD12 ' N ' ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.425 HD12 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.571 ' HA ' HD23 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.574 HG22 ' HE2' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.574 ' HE2' HG22 ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.425 ' HG2' HD12 ' A' ' 83' ' ' ILE . 25.3 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' HA ' ' OE1' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.442 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.696 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 124' ' ' SER . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m -77.73 -25.91 49.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.523 ' HA ' HG21 ' A' ' 8' ' ' VAL . 8.9 mp -60.38 -42.65 96.29 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.51 175.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 135' ' ' ALA . 2.0 tt 66.95 -73.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.69 0.619 . . . . 0.0 110.089 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 73.67 -40.15 0.45 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.754 0.821 . . . . 0.0 112.816 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -65.71 -19.19 65.8 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.259 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.516 ' H ' HD22 ' A' ' 132' ' ' LEU . . . -148.06 130.21 15.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.699 -177.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.486 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -63.07 -31.57 72.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.071 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 m -78.23 111.32 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.157 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.05 -36.13 36.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.678 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 mt-10 -109.96 115.95 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 16.9 mp0 -98.54 100.42 9.33 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 6.2 Cg_exo -78.91 -68.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.912 2.408 . . . . 0.0 111.803 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG23 HD12 ' A' ' 131' ' ' LEU . 33.6 m -65.9 -17.18 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.251 -174.236 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.601 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 99.1 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.652 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' A' ' 53' ' ' ILE . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 58' ' ' THR . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.603 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.601 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.563 ' HA2' ' HZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.724 HG23 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.652 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.724 ' SD ' HG23 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.46 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.445 ' O ' HD23 ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 131' ' ' LEU . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m -64.3 -41.52 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.523 HD12 HG23 ' A' ' 8' ' ' VAL . 7.5 mp -61.08 -37.38 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.607 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.56 5.04 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.236 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.54 -72.74 0.08 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.696 0.622 . . . . 0.0 111.12 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -114.92 93.85 4.5 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -164.09 134.66 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.476 178.148 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 63.44 -177.77 0.15 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.801 0.441 . . . . 0.0 110.814 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 m -143.98 146.97 33.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.748 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.24 139.28 42.62 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.76 0.314 . . . . 0.0 110.322 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -83.74 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.3 89.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.659 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.95 120.18 7.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.679 2.253 . . . . 0.0 111.709 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.89 -28.37 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.49 HE21 ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.608 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TRP . . . . . 0.49 ' HH2' HE21 ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 51.7 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.573 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.557 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG12 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TRP . . . . . 0.583 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.682 HD13 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.469 ' N ' HD22 ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.597 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HD13 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.479 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 120' ' ' ARG . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.608 HD12 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.41 -38.92 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.91 -62.24 1.62 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.624 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 133' ' ' ALA . 96.9 mt 59.94 -108.87 0.39 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.73 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LEU . . . 169.03 -60.29 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.355 0.662 . . . . 0.0 109.279 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -151.18 -59.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.36 127.53 14.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.187 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.673 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 CA--C 1.538 0.498 0 CA-C-O 120.965 0.412 . . . . 0.0 111.098 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' HB3' HD13 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.502 HD21 HD21 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.517 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.748 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 45.7 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 78' ' ' LEU . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.629 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.738 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.738 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 104' ' ' ALA . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 103' ' ' ARG . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.517 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.465 0.302 0 CA-C-O 120.83 0.348 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' LEU . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.407 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.561 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.471 ' NE2' HE22 ' A' ' 106' ' ' GLN . 80.1 mm-40 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 4.2 t-20 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HB ' ' H ' ' A' ' 84' ' ' ASP . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.67 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.67 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.58 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.43 ' SD ' ' NE2' ' A' ' 51' ' ' GLN . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.492 ' OE1' ' HA ' ' A' ' 103' ' ' ARG . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.477 ' HA ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 125' ' ' PRO . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m . . . . . 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m . . . . . 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.415 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 3.8 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.549 HG23 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.601 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.587 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.601 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.504 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.549 HD13 HG23 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.495 ' HE2' HG23 ' A' ' 109' ' ' ILE . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.701 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' A' ' 126' ' ' LEU . 77.9 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.466 0.362 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB3' HD13 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.621 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' HZ ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.528 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.563 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HB2' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.428 ' HG3' HD13 ' A' ' 78' ' ' LEU . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.616 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.616 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.519 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 93' ' ' VAL . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 62' ' ' ALA . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB3' HG21 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.42 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.603 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 111' ' ' ASN . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m . . . . . 0 N--CA 1.47 0.548 0 N-CA-C 113.251 0.834 . . . . 0.0 113.251 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD21 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.665 HD21 HD21 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 101' ' ' MET . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.66 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.636 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 101' ' ' MET . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 57.5 tp60 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.593 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.579 HG23 HG12 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.772 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.529 HG13 HD22 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.529 HD22 HG13 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.426 ' HE1' ' O ' ' A' ' 93' ' ' VAL . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.416 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.56 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m . . . . . 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.529 0.171 0 CA-C-O 120.694 0.283 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' A' ' 126' ' ' LEU . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 51' ' ' GLN . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.509 HG12 HE21 ' A' ' 60' ' ' GLN . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.509 HE21 HG12 ' A' ' 53' ' ' ILE . 26.8 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 14.2 mm100 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.878 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 89' ' ' LEU . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 94' ' ' LEU . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.772 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.772 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 103' ' ' ARG . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.565 HD11 ' HB ' ' A' ' 81' ' ' VAL . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.549 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.613 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 122' ' ' VAL . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 122' ' ' VAL . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 130' ' ' CYS . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.453 ' HG ' HD23 ' A' ' 126' ' ' LEU . 76.4 m . . . . . 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 CA--C 1.531 0.221 0 CA-C-O 120.866 0.365 . . . . 0.0 111.256 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE2' HD22 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' CE2' ' A' ' 15' ' ' PHE . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 1.9 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.651 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.411 HG22 ' HZ ' ' A' ' 72' ' ' PHE . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.549 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.411 ' HZ ' HG22 ' A' ' 42' ' ' THR . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.473 HG12 HG23 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.546 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HA ' HD23 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.439 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 126' ' ' LEU . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.465 0.309 0 CA-C-O 120.726 0.298 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HD2' HG13 ' A' ' 109' ' ' ILE . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.577 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.492 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.585 ' HA ' HD23 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.577 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HG2' HG22 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.483 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 126' ' ' LEU . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 N--CA 1.468 0.473 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 109' ' ' ILE . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.612 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 101' ' ' MET . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.408 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.655 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.655 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.551 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.642 HG22 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.569 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.631 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . 0.443 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.41 HG12 ' HE2' ' A' ' 127' ' ' TYR . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m . . . . . 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 29.2 m . . . . . 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.427 ' ND2' HD11 ' A' ' 32' ' ' LEU . 46.5 m-20 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.408 HG23 ' NE2' ' A' ' 60' ' ' GLN . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' HE21 ' A' ' 63' ' ' GLN . 8.3 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.452 HE21 ' HA ' ' A' ' 60' ' ' GLN . 48.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 25.2 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.546 ' HA ' HD23 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.585 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.441 HD22 HG13 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.545 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.545 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HB3' HD12 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 110' ' ' PHE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m . . . . . 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.43 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 21.5 mm-40 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.45 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HG2' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 35' ' ' GLU . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.43 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.445 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.688 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.445 HG12 ' HB1' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 28.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.524 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.811 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 90' ' ' GLY . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.619 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m . . . . . 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m . . . . . 0 CA--C 1.533 0.295 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.505 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.2 mm-40 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' HD11 ' A' ' 126' ' ' LEU . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 120' ' ' ARG . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' HD21 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.453 HD13 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.522 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.426 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.534 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.516 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 HG13 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.598 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.491 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 102' ' ' PHE . 1.7 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' A' ' 111' ' ' ASN . 24.2 tp60 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.612 HD21 ' HA ' ' A' ' 108' ' ' GLN . 10.3 p30 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' A' ' 35' ' ' GLU . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m . . . . . 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.751 HG11 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m . . . . . 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.519 ' HB3' HD12 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 HD21 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 HD12 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CG ' HD21 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 26' ' ' ALA . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.427 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.54 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.474 ' H ' HE22 ' A' ' 108' ' ' GLN . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.569 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.405 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 103' ' ' ARG . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.474 HE22 ' H ' ' A' ' 84' ' ' ASP . 24.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.751 ' SG ' HG11 ' A' ' 8' ' ' VAL . 48.9 t . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m . . . . . 0 CA--C 1.534 0.359 0 N-CA-C 111.754 0.279 . . . . 0.0 111.754 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.542 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.499 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.0 mm-40 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 ' HH2' ' A' ' 11' ' ' TRP . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.542 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' A' ' 79' ' ' SER . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CB ' HG11 ' A' ' 81' ' ' VAL . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.507 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.686 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 11.7 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.56 HD22 HD21 ' A' ' 112' ' ' LEU . 60.0 t30 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.693 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.686 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.566 HD11 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 82' ' ' ASN . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t . . . . . 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m . . . . . 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' SER . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.58 HD21 HD21 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 2.4 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 8.3 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.584 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.697 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.592 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.697 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.53 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.697 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.648 HE21 ' HA ' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.581 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m . . . . . 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 CA--C 1.533 0.327 0 CA-C-O 120.683 0.277 . . . . 0.0 111.446 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.689 HD21 HD21 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.503 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.412 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' HD13 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.495 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 81' ' ' VAL . 5.5 t30 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.614 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.434 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.561 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m . . . . . 0 CA--C 1.532 0.265 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.549 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.768 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.757 HD21 HD21 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HG3' HE21 ' A' ' 51' ' ' GLN . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' A' ' 48' ' ' GLU . 29.3 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.85 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.442 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.425 HD12 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.571 ' HA ' HD23 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.574 HG22 ' HE2' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.574 ' HE2' HG22 ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 105' ' ' GLN . 1.8 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.442 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.696 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 124' ' ' SER . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m . . . . . 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.6 m . . . . . 0 CA--C 1.531 0.212 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.579 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 20' ' ' GLN . 7.8 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.601 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 25.6 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.652 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' A' ' 53' ' ' ILE . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 58' ' ' THR . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 60' ' ' GLN . 50.9 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.603 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.601 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.724 HG23 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.652 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.724 ' SD ' HG23 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.46 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.46 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.466 0.33 0 CA-C-O 120.729 0.3 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.49 HE21 ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.608 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TRP . . . . . 0.49 ' HH2' HE21 ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.573 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.583 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.557 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.599 HG12 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TRP . . . . . 0.583 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.682 HD13 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.597 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HD13 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' SER . . . . . 0.479 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 120' ' ' ARG . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.608 HD12 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.48 1.027 0 CA-C-O 120.443 0.164 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.2 mmt 63.19 18.26 10.83 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.077 0.551 . . . . 0.0 111.406 179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.8 p -76.36 -32.05 58.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.105 0.478 . . . . 0.0 110.756 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -134.16 164.35 27.56 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.47 -0.786 . . . . 0.0 109.195 178.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -137.38 160.13 39.95 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.703 0.287 . . . . 0.0 110.576 -178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 10.4 mm-40 -65.3 162.96 35.97 Favored Pre-proline 0 C--O 1.234 0.276 0 CA-C-N 116.002 -0.544 . . . . 0.0 109.9 174.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -62.23 -141.56 0.01 OUTLIER 'Trans proline' 0 CA--C 1.538 0.688 0 C-N-CA 122.36 2.04 . . . . 0.0 110.727 170.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -57.55 -16.31 5.27 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.498 0 O-C-N 121.994 -0.441 . . . . 0.0 111.098 176.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.505 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . . . -58.03 -27.4 63.53 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.369 178.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.1 m -58.49 -23.27 57.44 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.889 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' HB3' HD13 ' A' ' 18' ' ' LEU . 37.5 m0 -59.23 -47.01 86.92 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.968 0.413 . . . . 0.0 110.104 178.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -74.72 -4.07 35.26 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.633 -177.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.474 HD11 ' HG3' ' A' ' 6' ' ' GLN . 88.4 mt -90.46 -38.5 13.21 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.366 177.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.5 m -152.02 134.61 15.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.634 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -65.75 -41.97 91.47 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -45.65 -49.72 14.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.583 173.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 2.4 tmt_? -61.72 -48.73 79.43 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.421 HD13 ' HB3' ' A' ' 11' ' ' TRP . 26.0 tp -54.49 -41.42 69.54 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-O 121.548 0.69 . . . . 0.0 110.554 177.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 ' HG ' ' A' ' 25' ' ' LEU . 22.9 tp -84.82 -17.05 39.31 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.131 -171.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -93.71 -24.9 17.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.206 179.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -89.28 125.44 61.87 Favored Pre-proline 0 N--CA 1.464 0.258 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.738 -177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_exo -53.81 -47.26 28.16 Favored 'Trans proline' 0 C--N 1.353 0.778 0 C-N-CA 123.018 2.479 . . . . 0.0 112.879 -177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 71.2 mt -60.32 -49.82 76.09 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.87 0.367 . . . . 0.0 110.389 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.29 -54.03 36.88 Favored Glycine 0 N--CA 1.45 -0.389 0 CA-C-N 115.748 -0.66 . . . . 0.0 112.317 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.86 -37.65 82.86 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.613 -0.293 . . . . 0.0 110.516 -179.091 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.9 -57.07 13.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.431 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -61.36 -40.17 93.29 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.12 0.486 . . . . 0.0 110.25 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -59.55 -41.08 89.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.227 177.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.483 ' O ' ' HG2' ' A' ' 33' ' ' LYS . 86.7 m -79.34 -20.07 48.73 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.891 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -66.48 -38.16 86.69 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-O 120.681 0.277 . . . . 0.0 110.778 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 68.0 m-85 -72.42 -52.45 15.87 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.212 -0.662 . . . . 0.0 109.212 170.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.515 ' O ' ' HB2' ' A' ' 38' ' ' ALA . 12.2 tp -77.84 77.65 4.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.452 -176.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.483 ' HG2' ' O ' ' A' ' 29' ' ' THR . 2.5 ptpp? -177.66 -36.53 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.075 177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -70.68 -28.8 65.04 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.114 -176.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -101.38 -12.93 18.23 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.078 176.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 60.3 t80 68.58 65.44 0.32 Allowed 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 114.733 -1.122 . . . . 0.0 111.744 175.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.1 t -128.1 21.76 6.24 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 166.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.515 ' HB2' ' O ' ' A' ' 32' ' ' LEU . . . -68.81 -8.32 42.42 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.603 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 79' ' ' SER . 0.0 OUTLIER -49.83 -39.16 37.8 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.373 0.509 . . . . 0.0 112.373 -175.367 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.502 HD21 HD21 ' A' ' 32' ' ' LEU . 8.3 p30 -65.74 -58.05 6.58 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.704 -0.226 . . . . 0.0 111.256 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.517 HG12 ' SD ' ' A' ' 113' ' ' MET . 28.1 m -62.7 -38.69 82.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 O-C-N 122.206 -0.309 . . . . 0.0 111.533 -177.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.504 HG22 ' O ' ' A' ' 38' ' ' ALA . 14.6 t -76.75 -21.86 54.62 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 121.102 -0.239 . . . . 0.0 110.596 -178.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -72.42 -44.1 62.92 Favored 'General case' 0 N--CA 1.464 0.254 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 171.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 82.9 t90 -60.61 -41.53 94.97 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.071 -0.714 . . . . 0.0 109.071 175.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.4 ' HB2' ' HA ' ' A' ' 42' ' ' THR . 52.5 mttm -62.3 -37.64 86.31 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.797 174.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.549 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -67.45 -42.96 82.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.733 -179.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -69.43 -36.79 77.01 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.139 178.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.502 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 0.3 OUTLIER -64.17 -39.41 93.95 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.579 174.012 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 -63.56 -34.44 77.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.274 -0.876 . . . . 0.0 109.809 175.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.411 ' HE2' ' O ' ' A' ' 98' ' ' ARG . 26.7 t80 -72.96 -45.97 55.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.398 -177.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.502 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 18.1 pt20 -73.71 -14.55 61.16 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.743 179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? -68.58 -32.15 71.85 Favored 'General case' 0 C--O 1.235 0.328 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 55.0 mt -71.6 130.08 87.75 Favored Pre-proline 0 C--O 1.233 0.223 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.394 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -63.23 133.05 38.8 Favored 'Trans proline' 0 C--N 1.347 0.486 0 C-N-CA 122.338 2.025 . . . . 0.0 111.265 174.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.481 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . -55.44 -23.28 24.47 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.129 0.49 . . . . 0.0 111.11 -179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.0 m -59.87 -43.77 94.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.019 179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -90.15 76.49 6.9 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.518 0.675 . . . . 0.0 109.612 -178.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.531 ' HA ' HD12 ' A' ' 61' ' ' LEU . 11.7 m -64.46 -22.93 67.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.947 -178.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 52.3 tt0 -65.75 -44.39 86.07 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -66.5 -40.87 89.49 Favored 'General case' 0 C--O 1.233 0.232 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 178.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.614 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 89.5 mt -55.78 -44.37 77.68 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.467 175.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.28 -41.94 94.4 Favored 'General case' 0 C--O 1.236 0.383 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.748 HE21 ' HA ' ' A' ' 63' ' ' GLN . 0.0 OUTLIER -64.6 -49.28 71.73 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.626 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -67.43 -36.36 81.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.464 -176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -58.27 -47.61 83.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.075 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -69.07 -30.34 68.64 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 116.565 -0.288 . . . . 0.0 110.845 -178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -62.08 -60.87 2.97 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.211 0.529 . . . . 0.0 109.692 176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.549 HG12 ' HB1' ' A' ' 46' ' ' ALA . 55.6 mt -57.45 -39.66 70.01 Favored 'Isoleucine or valine' 0 C--O 1.235 0.316 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.527 -179.18 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.55 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 80.8 t80 -56.72 -64.15 0.97 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.888 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.629 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 45.7 mt-30 -60.69 -30.17 69.77 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.937 -174.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' OE2' ' HB2' ' A' ' 78' ' ' LEU . 12.3 tp10 -80.33 -51.03 9.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.741 -174.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.451 ' HA ' ' O ' ' A' ' 79' ' ' SER . 54.0 m-85 -110.81 -32.95 6.67 Favored 'General case' 0 N--CA 1.466 0.369 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -171.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 22.2 mt -104.03 -11.81 17.16 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -165.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.629 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 29.1 t -71.1 158.38 36.56 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-O 121.02 0.438 . . . . 0.0 111.132 -178.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 8.0 p -70.16 -19.42 63.2 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.025 174.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.8 mt-30 -113.68 24.43 12.15 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.576 177.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.55 138.58 40.49 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.649 -176.158 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 78' ' ' LEU . 5.4 mp -79.35 -23.24 43.53 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.816 179.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 39' ' ' GLU . 4.4 m -135.07 75.05 61.34 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.898 177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_endo -67.81 102.92 0.79 Allowed 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.679 2.253 . . . . 0.0 112.748 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.88 140.55 16.83 Favored 'Isoleucine or valine' 0 C--O 1.239 0.523 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.368 175.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -86.65 97.62 10.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.28 0.562 . . . . 0.0 111.53 -174.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 17.8 pt -136.5 171.35 16.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 174.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -72.36 98.39 2.22 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.691 0.758 . . . . 0.0 110.603 -175.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmt85 -78.11 -35.28 49.42 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.25 -0.887 . . . . 0.0 110.326 -177.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 60.5 tp60 -51.45 -43.99 62.24 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.172 -178.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.92 20.12 18.81 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.978 -178.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 6.2 t90 -76.21 160.43 29.7 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.682 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.67 ' H ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -61.54 -66.51 0.52 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 111.01 -173.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.532 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 99.51 -134.08 11.55 Favored Glycine 0 N--CA 1.45 -0.43 0 N-CA-C 111.405 -0.678 . . . . 0.0 111.405 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.5 -22.04 53.83 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 122.564 0.346 . . . . 0.0 111.571 -178.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -62.0 -35.48 78.66 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-O 120.785 0.326 . . . . 0.0 110.562 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.532 HG12 ' O ' ' A' ' 90' ' ' GLY . 9.8 p -73.36 -22.56 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.792 -175.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -83.23 -32.51 26.45 Favored 'General case' 0 C--O 1.232 0.17 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 173.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.52 -46.54 79.23 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.964 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.482 ' O ' ' HG3' ' A' ' 96' ' ' GLU . 12.5 pt-20 -133.58 90.83 27.61 Favored Pre-proline 0 CA--C 1.534 0.355 0 CA-C-O 121.236 0.541 . . . . 0.0 110.885 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.614 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 83.4 Cg_endo -78.14 127.98 8.75 Favored 'Trans proline' 0 N--CA 1.458 -0.58 0 C-N-CA 122.089 1.86 . . . . 0.0 111.43 176.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.738 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 11.7 ptm180 -146.55 141.71 16.55 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -74.13 32.27 0.34 Allowed 'Trans proline' 0 N--CA 1.478 0.592 0 C-N-CA 123.126 2.551 . . . . 0.0 113.35 -169.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -139.11 3.9 2.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.546 . . . . 0.0 109.769 177.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.738 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 7.3 mmt -59.92 -69.6 0.2 Allowed 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.202 -176.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.0 m-85 -78.42 17.87 0.61 Allowed 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 112.905 0.706 . . . . 0.0 112.905 -167.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' N ' ' A' ' 104' ' ' ALA . 14.0 ptm180 -55.65 -54.42 44.38 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -173.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.402 ' N ' ' HG3' ' A' ' 103' ' ' ARG . . . -64.04 -42.07 97.19 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.083 0.468 . . . . 0.0 110.693 -176.712 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.484 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 2.1 mp0 -65.45 -33.03 74.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.051 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 53.7 tt0 -64.05 -46.15 85.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.895 178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.86 -25.67 61.18 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.941 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -60.11 -46.92 87.99 Favored 'General case' 0 C--O 1.233 0.224 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.414 HG21 ' O ' ' A' ' 40' ' ' ASN . 1.6 mp -66.71 -44.09 89.74 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.638 175.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -51.48 -50.95 58.87 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.567 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -75.25 -23.3 57.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.274 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 6.5 tt -64.65 -50.43 67.13 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.517 ' SD ' HG12 ' A' ' 41' ' ' VAL . 22.0 ptt? -82.6 -17.33 45.18 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.476 -178.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 61.6 tttm -54.82 -37.28 65.94 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -175.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -117.2 15.55 14.93 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 121.031 0.443 . . . . 0.0 111.147 -174.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -129.04 -82.4 0.57 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 122.222 -0.299 . . . . 0.0 110.785 -173.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.481 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 14.7 p -64.73 -37.84 88.97 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.339 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -57.66 -51.65 68.65 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.468 173.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.56 -29.59 68.03 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.026 -178.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -80.45 -39.54 27.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.041 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -59.84 -46.45 89.23 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.408 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.409 ' HA ' ' CD2' ' A' ' 127' ' ' TYR . 32.6 m -62.47 -15.2 14.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.383 0 CA-C-O 121.021 0.438 . . . . 0.0 111.395 -177.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -98.98 -21.83 16.05 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 121.117 0.484 . . . . 0.0 110.232 179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -82.42 161.49 59.27 Favored Pre-proline 0 CA--C 1.536 0.424 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.238 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -58.13 -170.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.903 0 C-N-CA 122.984 2.456 . . . . 0.0 112.733 175.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 77.9 mt 70.58 -49.77 0.66 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.658 0.783 . . . . 0.0 111.318 -176.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CD2' ' HA ' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -59.03 -61.44 2.64 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 175.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 37.3 ptt180 -53.98 -42.82 69.41 Favored 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.068 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -59.44 -26.86 65.56 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 111.716 0.265 . . . . 0.0 111.716 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.6 m -97.54 -12.34 22.68 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 120.898 0.38 . . . . 0.0 111.204 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.9 tp -96.96 -44.75 6.88 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.676 -175.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 135' ' ' ALA . 1.3 pt? -161.88 172.58 15.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.61 -174.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -146.82 -40.36 0.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.322 0.582 . . . . 0.0 110.233 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.526 ' CD ' ' H ' ' A' ' 134' ' ' GLU . 0.0 OUTLIER -76.99 -5.08 47.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.706 177.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.455 ' O ' HD12 ' A' ' 132' ' ' LEU . . . 71.13 -77.15 0.06 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.843 -178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 . . . . . 0 C--N 1.327 -0.389 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -179.446 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.482 1.168 0 N-CA-C 110.715 -0.105 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.8 mtm 58.0 -91.63 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 122.976 0.51 . . . . 0.0 111.038 -179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 21.5 p -81.11 85.88 6.25 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.31 0.576 . . . . 0.0 109.46 177.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -120.28 151.59 38.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.522 -0.763 . . . . 0.0 109.924 -175.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -69.91 84.63 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.419 0.628 . . . . 0.0 111.277 -176.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.419 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 16.7 mm100 -100.42 144.06 27.72 Favored Pre-proline 0 C--N 1.327 -0.4 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.166 174.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 16.9 Cg_exo -67.61 71.61 0.69 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.437 2.091 . . . . 0.0 111.421 176.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -58.74 -23.7 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.89 -176.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.66 -17.1 59.86 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.356 179.288 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 79.5 p -63.03 -26.44 68.85 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.845 -178.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 29.8 m0 -60.14 -40.92 91.48 Favored 'General case' 0 CA--C 1.528 0.122 0 CA-C-O 120.914 0.387 . . . . 0.0 110.57 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.46 -17.1 62.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.191 -178.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -78.61 -18.19 54.92 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.987 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.3 t -174.66 136.32 0.43 Allowed 'General case' 0 C--O 1.234 0.244 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.205 179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -65.8 -37.34 86.02 Favored 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 0.0 109.406 174.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 20' ' ' GLN . 7.4 tp10 -52.23 -44.99 65.1 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.601 175.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 27.1 tpt180 -58.34 -54.37 47.82 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.613 178.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 23.4 tp -56.81 -38.14 72.16 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.309 0.576 . . . . 0.0 110.861 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -81.32 -27.43 35.0 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.15 -171.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.561 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 84.3 mm-40 -82.19 -36.93 26.8 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.244 176.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -75.52 114.13 33.03 Favored Pre-proline 0 N--CA 1.464 0.23 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.482 -177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -63.44 -27.25 70.57 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.579 2.186 . . . . 0.0 112.372 -176.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 tt -69.87 -50.53 41.59 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 -179.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.61 -49.76 73.33 Favored Glycine 0 N--CA 1.447 -0.581 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.801 176.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 28' ' ' PHE . 1.5 tt -58.23 -31.62 67.54 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 178.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -59.2 -52.46 65.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.037 0.446 . . . . 0.0 110.823 178.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.488 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 77.7 m-85 -71.98 -29.63 64.44 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.226 0.536 . . . . 0.0 110.606 178.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 87.1 t80 -62.94 -46.07 89.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.238 177.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.612 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 14.6 t -75.77 -18.02 59.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.36 -179.371 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.488 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.3 tp10 -59.79 -50.16 74.9 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 173.22 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -73.11 -45.64 55.84 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.343 175.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.612 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 19.9 tp -55.96 -25.69 44.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -67.81 -48.61 65.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.271 176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -73.58 -30.59 63.11 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.437 -0.801 . . . . 0.0 111.713 -172.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' HG2' ' HA ' ' A' ' 32' ' ' LEU . 13.8 pt-20 -82.48 -6.98 59.64 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 110.302 177.662 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 21.0 t80 58.78 73.28 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.297 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.2 p -157.48 24.32 0.29 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 114.917 -1.038 . . . . 0.0 109.701 173.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.411 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -66.94 -12.94 61.12 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 115.484 -0.78 . . . . 0.0 112.387 -176.466 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.68 -24.07 53.19 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.624 -177.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.407 ' HA ' HG12 ' A' ' 81' ' ' VAL . 37.6 m-80 -50.44 -62.14 1.76 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.661 176.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.421 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.7 m -63.86 -32.68 58.0 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.965 -177.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 38.9 m -65.44 -37.51 87.11 Favored 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.719 0.295 . . . . 0.0 110.499 179.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 71.4 t80 -63.42 -45.79 89.36 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 121.332 0.587 . . . . 0.0 109.667 175.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.561 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 83.5 t90 -63.97 -41.9 97.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.124 179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 25.7 mtpp -79.0 -8.85 59.28 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.511 -178.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -88.71 -38.61 14.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.027 0.441 . . . . 0.0 109.914 173.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.494 ' SG ' ' HA ' ' A' ' 44' ' ' TRP . 25.2 p -77.63 -19.83 54.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.168 -179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -70.32 -29.51 66.25 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.418 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 48.3 mtt180 -75.03 -33.74 61.81 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.896 177.329 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -60.75 -25.29 66.38 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.709 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.471 ' NE2' HE22 ' A' ' 106' ' ' GLN . 80.1 mm-40 -64.28 -16.41 62.07 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.316 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.9 mm-40 -72.16 -13.27 61.51 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.174 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 4.8 mt -103.05 101.94 24.76 Favored Pre-proline 0 CA--C 1.534 0.34 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 99' ' ' PRO . 36.8 Cg_endo -64.87 -46.42 6.51 Favored 'Trans proline' 0 C--N 1.35 0.646 0 C-N-CA 122.377 2.052 . . . . 0.0 113.094 -173.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.462 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 161.95 -27.35 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.59 0.756 . . . . 0.0 109.142 -175.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.7 p -50.31 -59.93 3.48 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 114.897 -1.047 . . . . 0.0 111.99 -174.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -87.41 84.44 7.18 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.572 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.6 m -60.64 -29.85 69.52 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.743 -0.662 . . . . 0.0 111.012 -177.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.412 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 90.2 mt-30 -66.33 -42.53 88.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.271 -179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -66.58 -36.49 82.77 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.312 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.585 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 83.5 mt -50.68 -43.56 57.57 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.19 0.519 . . . . 0.0 109.648 175.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -68.29 -34.6 76.46 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.132 179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.43 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 26.2 mm-40 -63.22 -52.2 63.18 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.947 0.403 . . . . 0.0 110.924 -176.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -35.44 71.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.798 179.202 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.85 -52.78 63.99 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.658 0.266 . . . . 0.0 111.124 178.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.43 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.3 OUTLIER -65.52 -31.02 71.85 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.364 -178.514 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.88 -55.49 32.44 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.825 177.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 73.1 mt -61.44 -41.82 91.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.418 177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.575 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 65.0 t80 -58.54 -51.59 69.25 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.34 -0.845 . . . . 0.0 111.604 -177.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.544 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 57.6 mt-30 -63.87 -13.87 48.65 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -173.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -108.22 -45.84 3.85 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 178.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.459 ' HA ' ' O ' ' A' ' 79' ' ' SER . 57.5 m-85 -106.33 -13.25 15.44 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -169.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 22.1 mt -129.38 0.15 5.07 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -169.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.544 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 66.2 m -87.31 154.52 20.62 Favored 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 120.756 0.312 . . . . 0.0 111.369 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -61.17 127.89 33.72 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.386 177.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 53.9 34.26 19.05 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 123.38 0.425 . . . . 0.0 111.279 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.35 163.0 16.44 Favored 'General case' 0 C--O 1.233 0.215 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.078 178.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -63.33 -36.04 82.38 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.989 -177.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.459 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 46.7 p -146.87 73.57 12.33 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.126 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -82.38 49.95 3.27 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.087 2.525 . . . . 0.0 112.86 -174.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.426 HG23 ' H ' ' A' ' 82' ' ' ASN . 0.2 OUTLIER 25.84 -93.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 C-N-CA 123.859 0.864 . . . . 0.0 112.882 -176.179 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.486 ' O ' ' HG2' ' A' ' 85' ' ' ARG . 4.2 t-20 178.68 -79.69 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 175.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.417 ' HB ' ' H ' ' A' ' 84' ' ' ASP . 21.7 pt 39.54 -161.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.375 1.07 . . . . 0.0 113.753 175.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.499 ' HB3' ' HB3' ' A' ' 87' ' ' ALA . 5.8 m-20 -60.98 -47.84 84.58 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.771 -0.649 . . . . 0.0 112.48 -174.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.486 ' HG2' ' O ' ' A' ' 82' ' ' ASN . 19.8 mmm180 62.95 -76.25 0.03 OUTLIER 'General case' 0 N--CA 1.47 0.546 0 O-C-N 123.377 0.423 . . . . 0.0 111.317 -174.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 78.5 mm-40 -62.91 -43.77 97.89 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.255 0.55 . . . . 0.0 110.431 -177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.499 ' HB3' ' HB3' ' A' ' 84' ' ' ASP . . . -90.69 18.74 6.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.322 -178.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.548 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 7.5 t90 -76.46 169.11 18.85 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.652 -177.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.43 ' N ' HD12 ' A' ' 89' ' ' LEU . 6.5 mp -60.62 -64.71 0.86 Allowed 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 -174.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.478 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.22 177.37 14.84 Favored Glycine 0 N--CA 1.453 -0.223 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.421 177.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.41 ' HA ' HD23 ' A' ' 94' ' ' LEU . 11.3 pt-20 -56.5 -16.55 6.12 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.937 0.495 . . . . 0.0 112.071 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -61.38 -31.07 70.96 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 120.638 0.256 . . . . 0.0 110.325 -175.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.3 p -71.17 -17.56 20.03 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 CA-C-O 120.873 0.368 . . . . 0.0 111.02 -175.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.7 mm? -88.9 -41.58 12.35 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.153 0.501 . . . . 0.0 109.794 174.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 -33.12 72.22 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.967 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.67 ' HG3' HH21 ' A' ' 98' ' ' ARG . 9.5 pt-20 -140.08 88.83 11.46 Favored Pre-proline 0 C--O 1.239 0.519 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.792 178.028 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 61.2 Cg_endo -71.66 171.98 15.3 Favored 'Trans proline' 0 C--N 1.348 0.507 0 C-N-CA 122.449 2.099 . . . . 0.0 111.122 179.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.67 HH21 ' HG3' ' A' ' 96' ' ' GLU . 9.6 ptp180 -171.56 152.72 3.27 Favored Pre-proline 0 C--N 1.328 -0.362 0 C-N-CA 121.07 -0.252 . . . . 0.0 111.081 -172.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 58.8 Cg_endo -70.03 -13.22 33.74 Favored 'Trans proline' 0 C--N 1.348 0.551 0 C-N-CA 122.836 2.357 . . . . 0.0 111.525 176.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.58 ' HB3' ' HG3' ' A' ' 98' ' ' ARG . 18.5 t70 -64.26 -34.41 78.05 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.264 174.555 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.43 ' SD ' ' NE2' ' A' ' 51' ' ' GLN . 23.3 ptp 47.05 -166.62 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 114.446 -1.252 . . . . 0.0 114.226 169.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -84.46 33.75 0.51 Allowed 'General case' 0 CA--C 1.535 0.397 0 CA-C-N 114.967 -1.015 . . . . 0.0 111.075 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 0.0 OUTLIER -45.33 -41.34 8.73 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -170.844 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.78 -48.21 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.022 0.439 . . . . 0.0 110.836 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -72.81 -23.5 60.79 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.307 -177.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.492 ' OE1' ' HA ' ' A' ' 103' ' ' ARG . 53.4 mt-30 -60.03 -56.53 20.57 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.184 0.516 . . . . 0.0 109.713 174.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -75.43 -20.89 58.59 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.903 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -56.69 -49.58 74.69 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 173.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 24.6 mm -65.35 -43.42 94.93 Favored 'Isoleucine or valine' 0 C--O 1.235 0.338 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.802 177.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -56.78 -52.36 65.35 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.567 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -69.02 -28.81 66.91 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.981 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.7 tp -58.68 -55.13 38.99 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.407 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 9.9 mmt -71.28 -34.5 70.72 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -48.13 -44.94 32.53 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.099 179.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 39.3 t80 -104.65 17.63 23.77 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.827 -175.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -139.77 -90.61 0.18 Allowed 'General case' 0 C--N 1.33 -0.25 0 O-C-N 122.157 -0.34 . . . . 0.0 111.346 -177.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 23.1 t -62.08 -43.19 99.38 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.507 0.194 . . . . 0.0 110.516 -175.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -56.01 -53.04 61.7 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.813 0.34 . . . . 0.0 110.979 175.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -58.44 -32.27 68.54 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.822 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 -73.9 -45.33 51.36 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.507 179.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -59.88 -46.5 89.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.173 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -69.6 -3.75 3.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.613 -177.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -109.51 -19.16 13.33 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 120.653 0.263 . . . . 0.0 110.531 174.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -60.58 149.0 80.04 Favored Pre-proline 0 C--O 1.237 0.42 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.347 -177.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.477 ' HA ' ' HG2' ' A' ' 128' ' ' ARG . 12.3 Cg_endo -54.87 -39.79 88.5 Favored 'Trans proline' 0 C--N 1.352 0.763 0 C-N-CA 122.956 2.437 . . . . 0.0 112.208 -179.299 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.9 tt -51.21 -40.78 59.49 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.541 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -67.88 -55.57 12.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.828 -178.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.477 ' HG2' ' HA ' ' A' ' 125' ' ' PRO . 12.2 ptp180 -61.51 -29.19 69.83 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.483 -175.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.67 -39.91 73.27 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.008 176.174 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 79.9 m -64.37 -23.67 67.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.994 0.426 . . . . 0.0 110.41 177.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -85.14 -69.84 0.63 Allowed 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.253 175.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -169.68 -47.03 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.838 178.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -174.3 -28.86 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.11 -175.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 -135.37 146.42 48.35 Favored 'General case' 0 N--CA 1.447 -0.613 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -68.32 -47.15 68.32 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.63 -177.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.536 0.435 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.406 178.6 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.9 p . . . . . 0 N--CA 1.478 0.957 0 CA-C-O 120.675 0.274 . . . . 0.0 110.724 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.4 mmt -72.4 -51.2 21.45 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-O 121.133 0.492 . . . . 0.0 109.859 177.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.5 t -126.7 166.74 16.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.295 -0.866 . . . . 0.0 109.453 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.705 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 23.7 tt0 -150.77 -171.0 3.81 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.033 -0.728 . . . . 0.0 109.033 -177.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.705 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 37.6 mt-10 67.35 71.67 0.35 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.225 0.536 . . . . 0.0 109.935 -179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -108.26 105.7 57.12 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.516 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.07 155.05 29.59 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.713 2.275 . . . . 0.0 111.088 175.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.5 m -61.01 -22.86 28.04 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 121.184 0.516 . . . . 0.0 110.7 178.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.14 -19.08 61.11 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.297 178.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 21.1 t -61.67 -15.79 43.13 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.634 -177.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -60.87 -31.64 71.09 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 120.94 0.4 . . . . 0.0 110.796 178.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.81 -6.61 45.99 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.634 -175.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 94.6 mt -79.77 -40.68 28.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.819 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 m -155.61 132.97 10.94 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.506 -0.315 . . . . 0.0 110.543 -179.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.432 ' CZ ' HD22 ' A' ' 19' ' ' LEU . 14.4 t80 -65.05 -46.0 83.06 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.268 177.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -45.45 -50.36 12.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.988 176.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -61.45 -51.96 66.55 Favored 'General case' 0 C--O 1.226 -0.133 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 -178.737 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.8 tp -51.22 -47.34 62.35 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 121.562 0.696 . . . . 0.0 110.836 177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.537 HD12 ' HG ' ' A' ' 25' ' ' LEU . 31.4 tp -79.08 -24.17 43.67 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.704 -1.135 . . . . 0.0 111.448 -170.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.558 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -95.6 -10.04 30.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.058 0.456 . . . . 0.0 110.183 178.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 12.3 t70 -88.13 130.87 44.57 Favored Pre-proline 0 N--CA 1.463 0.213 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.796 -179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.29 -36.81 43.8 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.185 1.923 . . . . 0.0 112.521 -178.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.453 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 6.0 tt -76.93 -43.36 35.75 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 108.769 -0.826 . . . . 0.0 108.769 -179.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.87 -56.51 24.41 Favored Glycine 0 N--CA 1.448 -0.502 0 CA-C-N 115.097 -0.956 . . . . 0.0 112.087 177.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.537 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.6 OUTLIER -61.59 -27.61 68.76 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -54.88 -57.98 9.44 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.579 0.228 . . . . 0.0 110.615 177.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -68.43 -39.65 81.45 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.746 178.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.407 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 30.1 t80 -59.67 -47.73 84.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.177 -176.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 12.8 t -67.73 -37.02 81.64 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.512 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 52.3 mt-10 -57.61 -53.9 52.9 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-O 120.904 0.383 . . . . 0.0 110.703 178.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.408 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 70.3 t80 -67.9 -19.29 64.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.948 -177.321 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.6 tp -96.49 -16.22 21.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.252 0.549 . . . . 0.0 110.376 179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -91.73 -21.82 20.52 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.037 -177.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 13.5 ptmm? -57.35 -29.9 64.38 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-O 121.287 0.565 . . . . 0.0 110.596 176.233 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' H ' ' HG2' ' A' ' 35' ' ' GLU . 3.2 pt-20 -113.95 9.43 17.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.249 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.534 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 35.3 t80 64.94 12.13 7.59 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 114.657 -1.156 . . . . 0.0 110.733 174.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 34.3 m -78.54 0.6 25.49 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.297 0.57 . . . . 0.0 110.57 -178.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.72 1.27 2.59 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.591 177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.534 ' HG3' ' O ' ' A' ' 36' ' ' PHE . 33.6 mt-10 -50.97 -43.43 60.54 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-O 121.33 0.586 . . . . 0.0 110.2 178.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -60.51 -54.4 45.91 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 114.971 -1.013 . . . . 0.0 111.395 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.657 ' O ' ' HG2' ' A' ' 45' ' ' LYS . 16.2 m -65.66 -35.37 75.04 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.123 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.831 -176.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 49.0 m -65.84 -40.7 92.01 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 121.083 0.468 . . . . 0.0 110.285 -178.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HB2' HG11 ' A' ' 81' ' ' VAL . 78.1 t80 -58.71 -46.34 87.54 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.518 173.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.415 ' CZ3' ' HG ' ' A' ' 19' ' ' LEU . 70.7 t90 -58.16 -39.41 78.78 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 114.922 -1.035 . . . . 0.0 110.643 179.156 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.657 ' HG2' ' O ' ' A' ' 41' ' ' VAL . 30.7 mmmt -57.11 -55.12 38.88 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.47 0.653 . . . . 0.0 110.13 177.05 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.04 -33.09 73.72 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 114.963 -1.017 . . . . 0.0 110.925 -178.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 106' ' ' GLN . 73.7 m -65.9 -41.88 90.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 179.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 22.6 mt-10 -63.84 -36.88 85.38 Favored 'General case' 0 CA--C 1.529 0.166 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 176.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 34.1 mtp180 -58.82 -38.98 79.85 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.252 173.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -70.5 -45.99 64.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.23 -0.895 . . . . 0.0 110.639 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.522 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 3.8 pt20 -75.22 -15.75 60.53 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.835 -179.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -67.29 -20.66 65.66 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.275 0.559 . . . . 0.0 109.883 177.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.538 HD11 ' HG3' ' A' ' 64' ' ' GLU . 50.0 mt -81.45 114.3 48.48 Favored Pre-proline 0 N--CA 1.453 -0.313 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.345 176.82 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.587 ' O ' ' HG3' ' A' ' 99' ' ' PRO . 93.2 Cg_exo -44.78 -60.37 0.85 Allowed 'Trans proline' 0 C--N 1.35 0.648 0 C-N-CA 123.117 2.545 . . . . 0.0 113.549 -175.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.35 -40.43 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.734 0 O-C-N 123.573 0.546 . . . . 0.0 111.016 178.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -60.85 -31.8 71.22 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.719 -172.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -81.51 68.32 7.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.147 0.499 . . . . 0.0 110.531 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.466 ' HA ' HD12 ' A' ' 61' ' ' LEU . 12.6 m -60.89 -37.92 83.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.566 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -61.22 -49.05 78.71 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.566 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -61.52 -42.5 98.9 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.133 179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.489 HD13 ' HA ' ' A' ' 98' ' ' ARG . 60.0 mt -57.67 -43.73 85.25 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.694 176.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.43 -44.05 96.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -178.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -64.14 -49.64 71.36 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.947 -179.549 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.538 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.6 mm-40 -60.2 -44.14 95.37 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.11 0.481 . . . . 0.0 110.006 178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.47 -43.17 97.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.809 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.3 ttt180 -63.84 -44.11 94.16 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.712 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -58.95 -47.51 84.84 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.317 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.4 mt -67.3 -41.35 86.4 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-N 115.811 -0.632 . . . . 0.0 110.473 179.537 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.3 t80 -57.69 -63.16 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.627 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.556 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 94.4 mt-30 -80.2 21.12 0.61 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.061 -171.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.558 ' HA ' HD13 ' A' ' 78' ' ' LEU . 32.3 tt0 -132.41 -37.69 1.07 Allowed 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.677 0.275 . . . . 0.0 111.05 178.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -115.45 -34.44 4.92 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.857 0.361 . . . . 0.0 111.521 -178.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.501 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 51.4 mt -113.45 10.18 18.22 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.449 0.537 . . . . 0.0 112.449 -165.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.556 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 12.6 p -88.46 -175.18 4.88 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.363 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 m -61.69 88.69 0.02 OUTLIER 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.365 177.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 86.13 -41.63 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 114.966 -1.016 . . . . 0.0 108.944 176.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.532 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 62.87 -174.69 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.859 172.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 71' ' ' GLU . 5.5 mp -89.28 -33.6 16.89 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 115.564 -0.744 . . . . 0.0 109.208 175.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 29.9 m -139.69 82.67 17.74 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.162 178.23 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 56.3 Cg_endo -69.11 95.82 0.51 Allowed 'Trans proline' 0 C--N 1.347 0.466 0 C-N-CA 122.502 2.135 . . . . 0.0 112.112 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.509 HG11 ' HB2' ' A' ' 43' ' ' PHE . 35.5 m -76.59 147.69 7.47 Favored 'Isoleucine or valine' 0 C--O 1.237 0.404 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 177.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -92.99 100.61 13.02 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.969 -175.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.549 HG23 HD13 ' A' ' 109' ' ' ILE . 9.9 pt -142.16 -171.42 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.822 178.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -68.8 76.83 0.31 Allowed 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.916 -0.401 . . . . 0.0 109.916 177.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 18.0 mtp180 -90.52 -32.0 16.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.549 -178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -68.52 -31.29 70.44 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.328 0.585 . . . . 0.0 110.314 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.47 22.48 15.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.495 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.593 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 5.8 t90 -77.42 172.69 12.93 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.359 -174.123 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.515 ' N ' HD12 ' A' ' 89' ' ' LEU . 4.4 mp -75.78 -47.31 26.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.944 -177.213 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 84.61 -141.6 19.7 Favored Glycine 0 N--CA 1.453 -0.184 0 C-N-CA 121.131 -0.557 . . . . 0.0 112.285 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.514 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.7 OUTLIER -61.58 -12.05 13.96 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 122.839 0.455 . . . . 0.0 111.661 -179.752 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -59.75 -30.49 68.89 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.29 0.566 . . . . 0.0 109.586 178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.504 HG11 ' CZ ' ' A' ' 102' ' ' PHE . 67.7 t -65.74 -36.96 78.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 CA-C-N 115.458 -0.792 . . . . 0.0 110.523 179.225 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.514 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -80.08 -21.1 43.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.06 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.48 -47.45 63.87 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.506 176.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -152.9 97.0 2.88 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.601 178.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 69.3 Cg_endo -81.54 151.84 17.4 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.469 2.113 . . . . 0.0 112.481 -179.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.601 ' HG2' ' SD ' ' A' ' 101' ' ' MET . 10.8 ptt180 -158.01 152.64 20.76 Favored Pre-proline 0 C--N 1.323 -0.561 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.587 ' HG3' ' O ' ' A' ' 54' ' ' PRO . 29.6 Cg_endo -59.33 -16.78 36.48 Favored 'Trans proline' 0 N--CA 1.478 0.573 0 C-N-CA 122.841 2.361 . . . . 0.0 112.897 -172.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -94.04 -0.77 55.25 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.927 -176.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.601 ' SD ' ' HG2' ' A' ' 98' ' ' ARG . 0.5 OUTLIER -63.46 -68.05 0.38 Allowed 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.361 -178.202 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.504 ' CZ ' HG11 ' A' ' 93' ' ' VAL . 19.1 m-30 -83.53 -0.29 49.65 Favored 'General case' 0 N--CA 1.462 0.137 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.013 -177.344 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 35.0 ttp180 -58.56 -43.07 89.25 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-O 121.257 0.551 . . . . 0.0 109.972 179.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.95 -46.86 87.46 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.62 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -67.45 -32.3 73.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.837 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' O ' HG22 ' A' ' 109' ' ' ILE . 52.1 tt0 -56.55 -59.19 5.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.908 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.512 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.7 tp -68.62 -25.61 64.93 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.156 -178.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -64.94 -53.5 45.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.233 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.549 HD13 HG23 ' A' ' 83' ' ' ILE . 5.4 tp -57.17 -41.05 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 CA-C-O 121.771 0.796 . . . . 0.0 109.397 179.194 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' O ' ' A' ' 107' ' ' LEU . 32.5 t80 -49.64 -49.7 46.1 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 113.857 -1.519 . . . . 0.0 110.336 174.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -65.57 -35.29 80.41 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.686 -179.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -59.33 -64.49 0.92 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 120.973 0.415 . . . . 0.0 110.491 178.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.495 ' HE2' HG23 ' A' ' 109' ' ' ILE . 20.0 ptt? -68.93 -13.95 62.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.611 -176.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.0 tttm -60.52 -33.71 73.03 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 110.968 177.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -107.21 5.82 28.08 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.151 0.5 . . . . 0.0 110.744 -177.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -126.0 -82.85 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.511 -173.639 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 16.9 m -59.79 -46.06 90.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.54 -178.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 45.5 t80 -63.64 -46.66 84.66 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.49 178.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.479 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -56.06 -42.07 76.07 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.855 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 55.2 ttt180 -77.47 -35.17 54.03 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.8 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 71.1 t80 -60.15 -40.75 90.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.537 -174.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 26.8 m -78.33 -5.82 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.323 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.479 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 53.2 mtmt -116.37 4.39 13.4 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.008 0.432 . . . . 0.0 110.143 176.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 97.2 p -66.64 155.98 87.62 Favored Pre-proline 0 C--O 1.237 0.402 0 CA-C-N 115.813 -0.631 . . . . 0.0 112.022 -175.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -74.94 40.68 0.67 Allowed 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.865 2.376 . . . . 0.0 111.23 170.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.448 HD23 ' SG ' ' A' ' 130' ' ' CYS . 7.4 tt -139.85 -55.27 0.55 Allowed 'General case' 0 C--O 1.234 0.251 0 N-CA-C 108.511 -0.922 . . . . 0.0 108.511 179.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -50.72 -44.59 58.24 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.641 178.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.701 ' HG3' ' HG3' ' A' ' 129' ' ' GLU . 29.3 ptt180 -53.72 -42.12 67.75 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.472 178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.701 ' HG3' ' HG3' ' A' ' 128' ' ' ARG . 43.7 mt-10 -82.01 -27.45 33.09 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.047 -172.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.448 ' SG ' HD23 ' A' ' 126' ' ' LEU . 77.9 m -69.53 -21.94 63.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.29 0.567 . . . . 0.0 109.61 172.014 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.1 mp -89.61 -83.8 0.23 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.58 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.482 HD12 ' HB3' ' A' ' 136' ' ' GLU . 94.8 mt -148.3 -47.73 0.16 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 122.528 0.331 . . . . 0.0 110.418 -176.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 68.11 5.57 4.71 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.648 -0.705 . . . . 0.0 112.455 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -87.42 -65.28 1.03 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.669 0.271 . . . . 0.0 110.82 179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -147.94 -49.64 0.17 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 111.625 0.232 . . . . 0.0 111.625 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.482 ' HB3' HD12 ' A' ' 132' ' ' LEU . 29.8 tt0 . . . . . 0 C--O 1.235 0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.866 -178.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.2 p . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.364 -0.236 . . . . 0.0 110.364 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.0 ptt? -67.9 165.31 17.94 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.945 179.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.6 m -60.42 143.22 53.79 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.477 -178.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 33.2 86.93 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 122.237 1.018 . . . . 0.0 113.301 -169.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -86.36 -55.97 3.66 Favored 'General case' 0 C--N 1.315 -0.932 0 CA-C-N 114.022 -1.444 . . . . 0.0 109.387 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -162.15 137.77 5.63 Favored Pre-proline 0 C--N 1.327 -0.391 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 177.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_endo -50.32 166.76 0.28 Allowed 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.452 2.768 . . . . 0.0 113.685 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.9 m -62.33 -16.8 17.0 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.938 -176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.43 -17.68 32.88 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 120.985 0.421 . . . . 0.0 110.796 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 26.9 m -55.54 -21.83 18.78 Favored 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.696 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.468 ' HB3' HD13 ' A' ' 18' ' ' LEU . 42.4 m0 -54.22 -43.26 70.69 Favored 'General case' 0 C--O 1.226 -0.173 0 CA-C-O 121.151 0.5 . . . . 0.0 109.895 176.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -83.17 2.85 33.46 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.341 -174.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 88.1 mt -100.27 -32.07 11.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.387 178.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -156.33 135.72 12.26 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.427 -176.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -72.53 -50.24 27.17 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.744 -174.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' HZ ' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -57.66 -31.75 66.62 Favored 'General case' 0 CA--C 1.531 0.25 0 CA-C-O 120.854 0.359 . . . . 0.0 110.491 -178.778 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.0 tpp180 -64.9 -48.94 72.39 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 176.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 11' ' ' TRP . 18.0 tp -57.58 -45.72 84.88 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.63 -0.713 . . . . 0.0 110.45 174.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.566 HD12 ' HG ' ' A' ' 25' ' ' LEU . 18.6 tp -77.48 -16.48 58.72 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.551 -171.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.621 HE21 ' HA ' ' A' ' 20' ' ' GLN . 0.0 OUTLIER -98.94 -25.34 14.62 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.611 177.721 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -69.97 133.29 88.11 Favored Pre-proline 0 N--CA 1.464 0.273 0 N-CA-C 110.18 -0.304 . . . . 0.0 110.18 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -54.88 -52.74 7.31 Favored 'Trans proline' 0 C--N 1.349 0.596 0 C-N-CA 122.569 2.18 . . . . 0.0 112.726 -178.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.59 -39.03 74.09 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 109.973 -178.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -57.35 -58.7 13.19 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.162 178.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.566 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.4 OUTLIER -58.74 -41.93 87.62 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.249 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.447 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -57.59 -56.79 17.32 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.262 -177.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -64.72 -41.08 96.23 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.801 0.334 . . . . 0.0 110.504 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -56.95 -37.34 71.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.101 178.305 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.481 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 70.4 m -70.01 -46.66 64.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.33 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 44.8 mt-10 -54.22 -52.68 60.53 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.011 -179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.465 ' CE1' HD13 ' A' ' 126' ' ' LEU . 1.6 m-30 -56.96 -49.17 76.51 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.302 0.573 . . . . 0.0 110.222 178.156 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.0 tp -68.49 -22.56 64.54 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.186 -0.915 . . . . 0.0 111.58 -173.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 29' ' ' THR . 57.4 mtpt -75.29 -30.07 60.29 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.24 175.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -66.85 -42.03 86.4 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.778 -177.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -84.18 -4.59 58.92 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 120.827 0.346 . . . . 0.0 110.687 177.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.1 t80 59.39 76.81 0.34 Allowed 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.705 -177.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -157.01 19.63 0.31 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.164 -0.925 . . . . 0.0 108.902 172.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.496 ' O ' HG22 ' A' ' 42' ' ' THR . . . -73.35 -5.58 40.61 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 115.216 -0.902 . . . . 0.0 110.937 -175.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.697 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 2.6 mp0 -55.33 -31.62 61.84 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.426 -0.806 . . . . 0.0 109.843 179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -65.25 -56.95 9.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.219 -0.9 . . . . 0.0 110.928 178.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 27.4 m -65.79 -39.81 85.86 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.53 -0.305 . . . . 0.0 111.783 -174.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.496 HG22 ' O ' ' A' ' 38' ' ' ALA . 9.3 t -69.36 -37.05 77.43 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.123 -0.231 . . . . 0.0 110.414 -178.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -62.08 -44.06 97.48 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.226 0.536 . . . . 0.0 109.762 173.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -61.61 -43.71 98.34 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.018 178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.489 ' HB3' ' NZ ' ' A' ' 45' ' ' LYS . 9.0 mtpm? -65.61 -34.8 79.07 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.029 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.574 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -65.29 -44.89 86.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.691 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 103' ' ' ARG . 49.4 t -73.35 -28.48 62.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.338 177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -64.27 -31.9 73.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 174.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.497 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 93.9 mtt180 -60.3 -44.55 95.31 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.763 0.316 . . . . 0.0 110.236 172.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' HZ ' ' HB2' ' A' ' 65' ' ' ALA . 0.8 OUTLIER -54.03 -36.44 63.04 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.603 -178.164 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -57.0 -40.05 75.85 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.405 -0.816 . . . . 0.0 110.87 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -86.66 -16.96 35.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.843 -176.189 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 49' ' ' ARG . 54.4 mt -82.27 115.74 59.53 Favored Pre-proline 0 CA--C 1.532 0.287 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 -178.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_exo -67.27 151.32 81.05 Favored 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.888 2.392 . . . . 0.0 112.365 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.528 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -59.77 -26.53 65.78 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.717 178.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -55.06 -37.01 66.2 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.579 177.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.405 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 43.2 m-20 -90.99 53.92 2.5 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.179 -179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.563 ' HA ' HD12 ' A' ' 61' ' ' LEU . 6.9 m -54.82 -39.67 68.76 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.661 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -62.57 -36.51 82.91 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 115.681 -0.691 . . . . 0.0 110.953 179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 6.8 tp60 -71.17 -41.54 70.23 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.793 178.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HA ' ' A' ' 58' ' ' THR . 89.3 mt -56.15 -40.61 74.13 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.393 177.025 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.421 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -62.41 -47.23 85.01 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.225 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -68.62 -38.43 80.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.071 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.461 ' O ' HG13 ' A' ' 68' ' ' ILE . 11.5 tp10 -69.42 -43.26 73.74 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.52 ' HB2' ' HZ ' ' A' ' 50' ' ' PHE . . . -57.2 -42.99 82.3 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.189 0.518 . . . . 0.0 110.103 176.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 45.2 ttm105 -67.76 -33.93 75.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.577 177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -67.52 -36.72 81.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.584 178.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.574 HG12 ' HB1' ' A' ' 46' ' ' ALA . 48.1 mt -72.36 -43.34 64.6 Favored 'Isoleucine or valine' 0 C--O 1.236 0.366 0 CA-C-O 121.515 0.674 . . . . 0.0 109.511 174.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.1 t80 -62.63 -58.38 7.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.041 -0.981 . . . . 0.0 111.348 -175.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.551 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.2 mt-30 -78.64 24.08 0.3 Allowed 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -171.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.428 ' HG3' HD13 ' A' ' 78' ' ' LEU . 36.1 tt0 -138.0 -37.8 0.58 Allowed 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.464 0.173 . . . . 0.0 110.88 174.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.404 ' CE1' HG23 ' A' ' 42' ' ' THR . 42.6 m-85 -112.05 -25.63 9.26 Favored 'General case' 0 N--CA 1.467 0.398 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -177.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.616 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 26.8 mt -121.42 2.14 10.2 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -167.049 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.551 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 8.5 p -79.75 155.19 28.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.559 0.219 . . . . 0.0 110.591 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.7 t -57.99 -30.68 66.25 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-O 121.009 0.433 . . . . 0.0 110.795 -177.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -120.43 42.18 3.05 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.06 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.428 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -62.58 174.24 1.05 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.751 176.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.1 mp -67.18 -56.07 11.46 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 175.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.697 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 18.9 m -142.63 103.77 5.4 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.214 -0.903 . . . . 0.0 109.156 175.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -60.3 105.56 0.3 Allowed 'Trans proline' 0 C--N 1.349 0.587 0 C-N-CA 122.203 1.935 . . . . 0.0 111.046 177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG23 HG12 ' A' ' 83' ' ' ILE . 19.1 m -53.93 146.58 3.21 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-O 121.222 0.534 . . . . 0.0 111.585 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -69.3 9.15 0.48 Allowed 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 115.392 -0.822 . . . . 0.0 113.058 -168.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.571 HG21 ' HB3' ' A' ' 105' ' ' GLN . 32.2 pt -61.57 161.46 1.71 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.348 0 O-C-N 121.92 -0.487 . . . . 0.0 110.931 178.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.0 m-20 -78.59 100.71 7.08 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.252 177.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.581 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.2 OUTLIER -75.25 -16.38 60.46 Favored 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.815 0.34 . . . . 0.0 110.604 178.298 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -64.62 -44.56 90.15 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.971 -178.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -105.55 23.74 13.32 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-O 121.239 0.542 . . . . 0.0 110.35 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.616 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 11.5 t90 -76.6 172.76 12.49 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.601 -176.06 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.595 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.7 mm? -58.22 -64.87 0.76 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.001 0.429 . . . . 0.0 110.518 -178.178 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.519 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 126.37 175.53 14.18 Favored Glycine 0 N--CA 1.451 -0.325 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.855 178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -61.86 -15.88 45.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.221 0.534 . . . . 0.0 110.86 179.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -63.66 -25.69 68.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.088 -177.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.519 HG12 ' O ' ' A' ' 90' ' ' GLY . 12.4 p -68.2 -23.39 28.61 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 CA-C-O 120.975 0.417 . . . . 0.0 110.908 -177.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.438 HD22 HG13 ' A' ' 93' ' ' VAL . 3.6 mm? -70.27 -25.18 63.24 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.939 176.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -88.58 -52.36 5.2 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.08 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -123.2 100.85 38.86 Favored Pre-proline 0 CA--C 1.533 0.311 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.758 -177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.421 ' HG3' ' HB2' ' A' ' 62' ' ' ALA . 43.5 Cg_endo -91.84 172.97 2.55 Favored 'Trans proline' 0 CA--C 1.535 0.557 0 C-N-CA 123.044 2.496 . . . . 0.0 113.005 179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -159.9 153.95 19.77 Favored Pre-proline 0 CA--C 1.531 0.234 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.685 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.528 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 43.8 Cg_endo -65.92 -18.32 57.26 Favored 'Trans proline' 0 C--N 1.351 0.703 0 C-N-CA 122.511 2.141 . . . . 0.0 112.35 -176.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -109.42 77.75 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -142.29 148.91 38.81 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.018 -175.39 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 18.2 m-30 65.58 -3.64 0.67 Allowed 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 123.848 0.859 . . . . 0.0 112.689 178.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.48 ' HA ' ' SG ' ' A' ' 47' ' ' CYS . 39.5 ttp180 -68.15 -29.84 68.83 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 111.316 -176.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.95 97.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.39 0.614 . . . . 0.0 109.917 177.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.571 ' HB3' HG21 ' A' ' 83' ' ' ILE . 24.0 mp0 -78.85 -32.34 46.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.965 179.074 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.42 ' OE1' ' HG3' ' A' ' 103' ' ' ARG . 53.1 tt0 -55.24 -46.84 76.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.249 176.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' O ' ' HB3' ' A' ' 110' ' ' PHE . 23.1 tp -68.52 -27.96 66.57 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.685 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 56.9 tt0 -66.82 -42.36 86.0 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.926 0.393 . . . . 0.0 109.97 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.41 HD11 ' HB ' ' A' ' 81' ' ' VAL . 1.1 mp -63.21 -40.92 90.85 Favored 'Isoleucine or valine' 0 C--O 1.234 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.72 173.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HZ ' ' HB3' ' A' ' 16' ' ' GLU . 45.8 t80 -53.31 -52.06 60.37 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.148 176.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.427 ' HA ' ' HB2' ' A' ' 114' ' ' LYS . 93.8 m-20 -66.52 -35.67 80.81 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.278 -178.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 7.3 tt -57.24 -45.46 83.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.48 -177.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.603 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 25.0 ptt? -101.7 4.12 40.35 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.348 -177.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 111' ' ' ASN . 88.1 tttt -58.68 -36.96 75.03 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.08 -0.509 . . . . 0.0 112.116 -174.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 22.4 t80 -132.01 26.49 4.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.495 0.664 . . . . 0.0 110.09 -178.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -124.48 -80.7 0.63 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.671 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.603 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.5 t -60.53 -39.72 88.88 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 175.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 52.2 t80 -56.12 -50.62 70.56 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.672 173.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.402 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -60.45 -35.87 76.88 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.771 -0.649 . . . . 0.0 110.783 -178.477 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 32.7 ttp-105 -81.09 -28.21 35.31 Favored 'General case' 0 C--O 1.238 0.466 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.811 -178.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -58.68 -54.92 41.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.575 178.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.5 m -65.56 -19.89 26.45 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.396 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.304 -177.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 68.1 mttm -78.65 -25.67 45.0 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.718 177.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -62.9 123.36 79.55 Favored Pre-proline 0 CA--C 1.533 0.322 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.732 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 13.7 Cg_endo -55.0 -28.36 59.36 Favored 'Trans proline' 0 C--N 1.35 0.631 0 C-N-CA 123.023 2.482 . . . . 0.0 113.141 -175.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.583 HD23 ' O ' ' A' ' 126' ' ' LEU . 4.8 tt -57.72 -23.07 50.0 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.472 -177.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 16.3 t80 -52.66 -42.02 64.34 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.723 179.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.421 ' HD3' ' O ' ' A' ' 136' ' ' GLU . 1.3 ppt_? -71.98 -29.64 64.45 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.752 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 26.3 mp0 -60.68 -28.58 68.72 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.878 0.37 . . . . 0.0 110.589 176.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 60.3 m -85.33 -37.14 20.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.389 -178.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.445 ' HB3' HD22 ' A' ' 132' ' ' LEU . 53.7 tp -91.93 -60.12 1.94 Allowed 'General case' 0 CA--C 1.533 0.308 0 CA-C-O 120.815 0.34 . . . . 0.0 111.438 -176.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.563 ' HB3' ' HB3' ' A' ' 135' ' ' ALA . 2.7 mm? -89.85 -22.81 21.88 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.367 -175.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 62.51 -77.62 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.368 -176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -116.74 -14.68 10.77 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 120.84 0.352 . . . . 0.0 110.77 -178.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.563 ' HB3' ' HB3' ' A' ' 132' ' ' LEU . . . -71.93 87.98 1.04 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.893 0.378 . . . . 0.0 110.874 -177.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.421 ' O ' ' HD3' ' A' ' 128' ' ' ARG . 1.1 mp0 . . . . . 0 N--CA 1.465 0.311 0 CA-C-N 115.525 -0.762 . . . . 0.0 111.16 179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 10.0 t . . . . . 0 N--CA 1.478 0.944 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.1 ttt 70.05 23.86 5.23 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 121.542 0.687 . . . . 0.0 110.187 -178.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -161.21 -33.57 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.396 176.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.731 ' HG2' HD21 ' A' ' 13' ' ' LEU . 2.4 mm-40 53.21 -86.88 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 123.886 0.874 . . . . 0.0 111.982 174.052 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.669 ' HB3' ' HD2' ' A' ' 7' ' ' PRO . 72.9 mm-40 -130.81 153.74 48.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.782 -171.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.446 ' HB3' ' HD3' ' A' ' 7' ' ' PRO . 34.7 tt0 -68.28 -43.97 35.17 Favored Pre-proline 0 CA--C 1.544 0.743 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.114 177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.669 ' HD2' ' HB3' ' A' ' 5' ' ' GLU . 52.5 Cg_exo -56.23 -172.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.363 1.31 0 C-N-CA 122.492 2.128 . . . . 0.0 114.037 179.121 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.7 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.5 m -55.5 -11.91 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 CA-C-N 115.129 -0.941 . . . . 0.0 113.251 -174.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.42 -19.94 2.51 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.672 0.272 . . . . 0.0 111.482 179.218 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 68.7 m -57.58 -17.81 16.27 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 116.252 -0.431 . . . . 0.0 112.0 178.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 53.5 m0 -54.9 -40.59 69.97 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.944 0.402 . . . . 0.0 110.761 177.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.75 1.81 9.62 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.769 -173.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.731 HD21 ' HG2' ' A' ' 4' ' ' GLU . 75.5 mt -95.17 -38.73 10.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.935 179.423 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.9 m -151.36 128.26 10.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.069 0.461 . . . . 0.0 110.86 -175.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' CE2' ' HG3' ' A' ' 113' ' ' MET . 11.5 t80 -64.37 -42.6 96.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.137 -175.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -53.93 -46.03 71.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.92 177.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 69.9 mtp180 -63.18 -37.09 85.85 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.665 0.269 . . . . 0.0 110.887 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.0 tp -66.89 -44.3 81.22 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 121.576 0.703 . . . . 0.0 110.17 174.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.615 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.8 tp -77.94 -19.01 55.37 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.202 -170.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -97.98 -6.85 31.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.093 0.473 . . . . 0.0 110.113 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -84.18 130.52 54.12 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.931 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.63 -50.83 12.02 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.453 2.102 . . . . 0.0 112.342 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -71.89 -41.48 67.92 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.76 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.05 -61.01 7.84 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.289 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.615 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.9 OUTLIER -58.84 -39.12 80.3 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 122.522 0.329 . . . . 0.0 110.127 -178.866 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.68 -55.1 39.25 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.065 0.459 . . . . 0.0 111.286 -178.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.429 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 41.6 m-85 -74.51 -31.36 62.15 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.64 -178.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -62.42 -46.05 90.31 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.353 177.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.592 ' O ' ' HB3' ' A' ' 33' ' ' LYS . 12.6 t -72.66 -23.0 60.84 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.331 -178.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.429 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 14.9 tp10 -57.83 -57.92 10.65 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 174.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 89.8 m-85 -66.27 -39.21 89.28 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.952 0.406 . . . . 0.0 110.881 178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD21 HD21 ' A' ' 40' ' ' ASN . 16.3 tp -67.42 -27.8 67.37 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.066 -177.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.592 ' HB3' ' O ' ' A' ' 29' ' ' THR . 0.1 OUTLIER -88.78 -22.45 23.28 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.091 0.472 . . . . 0.0 109.782 175.104 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.2 ttmm -65.09 -36.84 85.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.001 177.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -87.6 -10.66 50.85 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.31 174.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 58.1 t80 68.93 74.2 0.26 Allowed 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.954 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.5 m -156.75 13.77 0.27 Allowed 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.006 -0.997 . . . . 0.0 110.511 178.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -76.97 4.11 10.72 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.313 0.577 . . . . 0.0 111.168 -175.519 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.77 -14.66 61.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.595 -0.729 . . . . 0.0 109.964 178.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.665 HD21 HD21 ' A' ' 32' ' ' LEU . 35.1 p-10 -75.76 -41.37 53.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.003 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.7 m -75.96 -32.67 23.79 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-N 116.659 -0.246 . . . . 0.0 111.488 -176.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.501 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 6.6 t -69.94 -38.44 76.18 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 176.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.9 t80 -61.8 -43.89 97.96 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.207 0.527 . . . . 0.0 109.863 172.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.416 ' NE1' ' NE2' ' A' ' 106' ' ' GLN . 90.1 t90 -57.31 -56.78 17.4 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.796 179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.501 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.5 ptpt -67.24 -26.48 66.6 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.934 -177.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.08 -52.54 63.49 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-O 120.912 0.387 . . . . 0.0 110.024 177.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 53.9 t -68.85 -27.74 66.1 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.011 0.434 . . . . 0.0 110.182 178.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -64.05 -39.96 95.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.82 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 50.2 mtm180 -81.74 -17.2 48.62 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.572 177.762 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -71.82 -43.61 65.3 Favored 'General case' 0 CA--C 1.531 0.228 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.404 178.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -71.82 -17.98 62.11 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.04 0.448 . . . . 0.0 110.263 178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.463 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 0.8 OUTLIER -65.23 -24.81 67.44 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.324 177.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 65.8 mt -68.58 125.6 91.9 Favored Pre-proline 0 CA--C 1.533 0.305 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 176.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -76.08 26.93 0.41 Allowed 'Trans proline' 0 C--N 1.35 0.609 0 C-N-CA 122.93 2.42 . . . . 0.0 113.246 -173.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 73.6 -38.7 0.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.353 0.661 . . . . 0.0 112.07 179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.1 m -49.89 -42.15 47.33 Favored 'General case' 0 CA--C 1.53 0.188 0 C-N-CA 123.205 0.602 . . . . 0.0 111.733 -178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -82.47 68.88 9.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.281 -0.418 . . . . 0.0 109.985 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 61' ' ' LEU . 16.2 m -62.63 -35.05 78.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.361 -178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 4.5 pp0? -64.07 -36.97 85.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.517 177.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 47.9 tt0 -72.08 -36.37 69.5 Favored 'General case' 0 CA--C 1.521 -0.149 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 179.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.57 HD12 ' HA ' ' A' ' 58' ' ' THR . 98.0 mt -57.87 -44.19 86.49 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.968 174.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.7 -52.25 64.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.847 179.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.482 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.0 mm100 -59.01 -47.64 84.46 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -65.12 -55.43 18.76 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.511 -177.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.49 -40.69 72.01 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.832 -178.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' HD2' HH11 ' A' ' 66' ' ' ARG . 36.6 ttm105 -64.79 -41.66 95.66 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.541 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -63.39 -50.3 70.43 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.208 -178.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 56.0 mt -60.55 -41.11 86.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.32 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.747 176.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.626 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 82.9 t80 -55.73 -59.55 4.7 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.053 -0.976 . . . . 0.0 110.986 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -63.37 -29.05 70.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.86 -0.609 . . . . 0.0 112.232 -173.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.451 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 23.9 tt0 -93.42 -37.24 12.08 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 112.732 0.642 . . . . 0.0 112.732 -171.203 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -117.73 -25.91 6.7 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.438 0.533 . . . . 0.0 112.438 -174.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 27.4 mt -112.9 -16.93 12.61 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 113.273 0.842 . . . . 0.0 113.273 -164.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 77.4 p -66.36 162.49 20.21 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 117.739 0.245 . . . . 0.0 110.619 -177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.1 m -51.72 -31.75 27.59 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.828 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mt-30 -106.04 -66.13 1.02 Allowed 'General case' 0 C--O 1.233 0.232 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 178.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 63.75 174.21 0.17 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.616 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.428 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.2 mp -84.45 -36.9 22.0 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.097 -0.705 . . . . 0.0 109.097 175.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 20.1 m -152.19 91.05 3.7 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.075 174.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -61.65 122.52 11.15 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.745 2.297 . . . . 0.0 112.415 -177.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.439 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.2 m -78.67 -2.72 5.19 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.039 -179.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.419 ' O ' ' HG3' ' A' ' 85' ' ' ARG . 28.6 t-20 71.88 -75.71 0.07 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.783 174.535 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 34.9 pt 38.51 -153.08 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 123.903 0.881 . . . . 0.0 112.528 -177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -87.77 34.98 0.72 Allowed 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 122.702 0.401 . . . . 0.0 111.696 -175.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.548 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 67.6 mtm180 -64.22 -9.21 15.77 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -177.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 95.3 mt-30 -60.34 -22.5 63.32 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.173 0.511 . . . . 0.0 110.524 175.652 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -145.47 63.17 1.27 Allowed 'General case' 0 C--O 1.237 0.433 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 175.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.572 ' CH2' HD13 ' A' ' 73' ' ' LEU . 0.0 OUTLIER -90.81 -178.27 5.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.433 -172.168 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.619 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.2 pt? -135.93 30.77 3.05 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 120.864 0.364 . . . . 0.0 111.017 -173.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.462 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -60.65 -59.01 10.96 Favored Glycine 0 CA--C 1.509 -0.318 0 C-N-CA 121.089 -0.577 . . . . 0.0 113.269 -174.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -58.83 -14.94 10.23 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 120.754 0.311 . . . . 0.0 111.109 -176.399 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -85.64 -48.31 8.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.231 177.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.496 HG23 ' HG3' ' A' ' 101' ' ' MET . 14.6 p -65.96 -31.18 52.58 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.822 -175.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.496 HD22 HG13 ' A' ' 93' ' ' VAL . 3.5 mm? -64.61 -28.67 69.78 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.894 0.378 . . . . 0.0 110.753 177.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -94.41 -32.88 13.36 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.882 179.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -130.21 79.62 72.35 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.213 -178.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 89.1 Cg_endo -83.76 144.98 11.32 Favored 'Trans proline' 0 N--CA 1.456 -0.684 0 C-N-CA 122.239 1.96 . . . . 0.0 112.28 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.66 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 5.5 ptm180 -157.87 149.0 16.5 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 178.394 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -62.36 -13.02 30.24 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.297 1.998 . . . . 0.0 111.408 -178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.424 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 12.0 t70 -105.5 78.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.52 -0.763 . . . . 0.0 109.62 178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.66 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 9.7 mmt -138.24 -73.66 0.4 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.34 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.551 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 13.6 m-85 -85.91 9.96 15.33 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.226 -0.443 . . . . 0.0 112.097 -172.055 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -56.33 -50.11 72.43 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -173.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.68 -29.6 69.64 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.126 0.489 . . . . 0.0 110.846 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.421 ' NE2' ' NE1' ' A' ' 88' ' ' TRP . 91.7 mt-30 -80.2 -28.61 38.62 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.194 -178.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.416 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 10.0 tm0? -68.09 -42.39 80.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.425 -0.807 . . . . 0.0 108.844 173.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 26.8 tp -72.7 -25.72 61.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.306 -0.861 . . . . 0.0 110.097 175.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 58.5 tp60 -64.56 -48.65 74.23 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 120.738 0.304 . . . . 0.0 110.301 177.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.512 ' O ' ' HG2' ' A' ' 113' ' ' MET . 0.9 OUTLIER -58.44 -42.2 83.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 176.2 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -56.38 -50.03 72.73 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 114.659 -1.155 . . . . 0.0 110.358 175.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -72.85 -17.85 61.5 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.217 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.9 tp -75.55 -56.29 4.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.053 0.454 . . . . 0.0 110.153 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.586 ' SD ' ' ND2' ' A' ' 40' ' ' ASN . 20.7 ptt? -77.34 -8.18 57.24 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.927 179.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -54.0 -41.07 67.53 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.885 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -107.51 18.64 21.26 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.466 -176.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -137.7 -84.24 0.31 Allowed 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.781 -0.19 . . . . 0.0 110.833 -176.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.43 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 6.6 m -58.68 -41.0 85.16 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.925 0.393 . . . . 0.0 110.446 -177.125 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -61.83 -51.58 67.68 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.435 176.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -64.71 -24.4 67.56 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.236 -178.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.6 ttp-105 -84.56 -43.4 14.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 67.0 t80 -57.64 -48.81 78.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.386 -177.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.6 m -65.85 -10.04 9.63 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.452 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.77 -176.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -104.88 -14.16 15.58 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.875 0.369 . . . . 0.0 110.348 178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.3 m -80.94 160.86 65.2 Favored Pre-proline 0 C--O 1.235 0.321 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.696 -179.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -59.17 -173.97 0.07 OUTLIER 'Trans proline' 0 C--N 1.353 0.772 0 C-N-CA 122.624 2.216 . . . . 0.0 112.112 174.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 3.7 tt 74.77 -49.45 0.66 Allowed 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.329 0.651 . . . . 0.0 110.303 -178.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -53.05 -52.15 59.43 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.236 0.541 . . . . 0.0 110.141 175.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 82.1 mtt180 -63.82 -34.12 77.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -61.87 -39.41 91.83 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.574 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.7 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.2 t -69.68 -27.54 65.1 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.524 179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mp -90.99 -7.46 51.95 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.048 176.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.47 HD21 ' HB2' ' A' ' 135' ' ' ALA . 3.2 tm? -76.62 104.64 7.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.01 0.433 . . . . 0.0 110.448 -176.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -147.96 20.66 1.12 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.876 -0.602 . . . . 0.0 109.882 176.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -119.84 -20.92 7.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.473 -174.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.47 ' HB2' HD21 ' A' ' 132' ' ' LEU . . . -64.77 -59.97 3.63 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.893 0.377 . . . . 0.0 111.175 -174.283 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.595 -178.746 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.354 0.121 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 67.2 131.29 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.125 0.57 . . . . 0.0 111.482 178.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 4.1 p -78.19 70.78 4.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.314 0.578 . . . . 0.0 110.864 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -72.77 -33.34 66.24 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.576 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 69.86 174.07 0.3 Allowed 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.933 -177.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -166.55 154.44 9.22 Favored Pre-proline 0 C--O 1.234 0.242 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.757 -176.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -76.6 159.82 35.26 Favored 'Trans proline' 0 C--N 1.351 0.695 0 C-N-CA 122.685 2.257 . . . . 0.0 111.365 173.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.4 m -62.94 -19.07 22.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 121.103 0.477 . . . . 0.0 111.355 -175.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.58 -20.09 66.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.513 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 67.7 p -62.85 -26.48 68.78 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.8 0.334 . . . . 0.0 111.177 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.636 ' HB3' HD12 ' A' ' 18' ' ' LEU . 42.6 m0 -58.59 -41.92 86.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.256 -178.179 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.47 -4.66 31.7 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.701 -174.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.6 mt -80.0 -47.78 14.39 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.58 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.6 m -158.31 139.82 13.54 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.786 -176.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.416 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 12.8 t80 -56.15 -40.37 73.75 Favored 'General case' 0 C--O 1.224 -0.244 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.23 178.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -52.7 -43.15 65.44 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.087 176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 37.1 ttt180 -76.72 -18.85 58.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.11 -173.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.636 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.1 tt -88.79 -40.38 13.23 Favored 'General case' 0 N--CA 1.468 0.474 0 CA-C-O 121.364 0.602 . . . . 0.0 110.355 172.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 25' ' ' LEU . 44.0 tp -76.86 -28.55 55.48 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.432 -0.804 . . . . 0.0 111.398 -171.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -94.23 -2.45 52.4 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.15 0.5 . . . . 0.0 110.104 178.122 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -95.23 126.02 47.94 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.89 178.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -65.48 -31.51 51.12 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.493 2.129 . . . . 0.0 112.747 -176.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.426 HD22 ' HZ2' ' A' ' 11' ' ' TRP . 2.5 tt -73.93 -47.24 39.14 Favored 'General case' 0 C--O 1.24 0.581 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 -179.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.95 -55.81 27.65 Favored Glycine 0 N--CA 1.448 -0.547 0 CA-C-N 115.014 -0.994 . . . . 0.0 112.315 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 19' ' ' LEU . 0.9 OUTLIER -60.57 -29.96 69.5 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.092 -0.336 . . . . 0.0 110.092 -178.573 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.89 -57.2 13.53 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.068 0.461 . . . . 0.0 110.96 178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -75.19 -31.74 61.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.977 0.417 . . . . 0.0 110.504 -179.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.428 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 88.1 t80 -60.59 -45.75 92.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.325 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.471 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 11.0 t -74.2 -23.06 59.14 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.405 -178.671 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.544 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 37.6 tt0 -55.32 -62.27 1.78 Allowed 'General case' 0 C--O 1.232 0.141 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 173.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -58.24 -50.08 74.84 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 121.264 0.554 . . . . 0.0 110.435 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.471 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 49.2 tp -61.29 -26.06 67.53 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.43 -0.805 . . . . 0.0 112.25 -173.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -94.36 -15.92 23.94 Favored 'General case' 0 N--CA 1.464 0.254 0 O-C-N 122.1 -0.375 . . . . 0.0 110.996 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.544 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 98.3 mttt -69.97 -28.9 65.93 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.19 0.519 . . . . 0.0 109.907 173.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.421 ' CD ' HH12 ' A' ' 120' ' ' ARG . 8.0 pt-20 -96.65 3.34 52.55 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.015 173.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 31.8 t80 51.57 70.36 0.55 Allowed 'General case' 0 C--O 1.235 0.315 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.276 178.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.0 t -141.15 5.9 1.92 Allowed 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.268 -0.878 . . . . 0.0 109.632 173.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.87 -11.08 11.11 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 111.325 -176.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -64.73 -28.63 69.72 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.652 -177.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.474 ' HB2' HD12 ' A' ' 109' ' ' ILE . 7.9 p30 -68.06 -44.89 75.32 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 121.057 -0.257 . . . . 0.0 110.358 -178.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.476 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 34.2 m -72.64 -28.07 26.95 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.192 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.239 178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 67.3 m -63.22 -42.15 99.22 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 174.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -60.9 -44.84 96.58 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.383 174.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.49 -45.77 92.57 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.361 178.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 30.7 mtpp -62.34 -34.62 77.0 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.433 -0.348 . . . . 0.0 110.67 179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.41 -42.12 98.73 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 121.071 0.462 . . . . 0.0 109.974 176.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 83.8 m -68.54 -37.26 79.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.512 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -58.2 -44.92 88.32 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.866 176.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 18.3 ttt85 -66.17 -36.51 83.29 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.811 177.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.418 ' CE1' ' HB2' ' A' ' 101' ' ' MET . 38.6 t80 -67.51 -44.57 78.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.973 -176.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -76.09 -0.18 20.96 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 120.821 0.343 . . . . 0.0 111.303 -177.629 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -75.99 -21.09 57.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.357 0.598 . . . . 0.0 109.437 173.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 58.2 mt -75.88 124.0 88.42 Favored Pre-proline 0 CA--C 1.534 0.338 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.813 178.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo -74.7 26.79 0.35 Allowed 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 122.797 2.331 . . . . 0.0 113.745 -174.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.539 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 74.3 -40.17 0.44 Allowed 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.306 0.642 . . . . 0.0 112.541 177.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.6 m -55.31 -33.27 63.14 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 122.68 0.392 . . . . 0.0 111.702 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -79.61 66.62 5.13 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.258 177.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.414 ' HA ' HD12 ' A' ' 61' ' ' LEU . 32.1 m -53.93 -41.05 67.3 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 111.318 -178.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.426 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 57.5 tp60 -63.34 -45.99 88.67 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.373 -179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 64.2 tt0 -63.46 -39.08 93.52 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.116 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 55' ' ' ALA . 96.7 mt -56.14 -50.46 71.06 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.197 175.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.29 -44.76 92.48 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.803 -179.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -61.15 -56.3 22.42 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.124 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 56.4 mm-40 -62.66 -41.68 99.19 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.062 -176.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.46 89.25 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 120.972 0.415 . . . . 0.0 110.493 178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -62.39 -42.9 99.78 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.716 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -59.41 -43.51 93.0 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.759 179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 59.0 mt -72.0 -37.52 60.98 Favored 'Isoleucine or valine' 0 C--O 1.238 0.457 0 CA-C-O 121.103 0.478 . . . . 0.0 110.211 179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.593 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 85.1 t80 -60.14 -61.23 2.76 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.677 -178.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 95.0 mt-30 -80.52 45.87 0.81 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.291 -174.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -157.54 -56.79 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.096 0.474 . . . . 0.0 110.034 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -106.88 -28.92 9.8 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.692 -0.686 . . . . 0.0 111.621 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.593 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 59.8 mt -115.19 10.03 15.94 Favored 'General case' 0 C--O 1.235 0.293 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 -168.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 20.1 p -89.2 163.36 15.45 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 176.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.1 m -68.59 -40.6 80.43 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.126 0.488 . . . . 0.0 110.147 178.197 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -94.79 36.46 1.18 Allowed 'General case' 0 CA--C 1.534 0.328 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.011 176.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.8 142.84 57.22 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.152 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 7.9 mp -73.7 -26.67 60.83 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.242 179.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 32.6 p -145.14 86.33 7.68 Favored Pre-proline 0 C--N 1.326 -0.421 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.313 177.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.55 130.13 32.28 Favored 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 122.548 2.165 . . . . 0.0 111.557 177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.579 HG12 HG23 ' A' ' 83' ' ' ILE . 13.9 t -68.43 -19.68 24.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.152 -177.306 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 65.68 17.13 10.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.048 0.539 . . . . 0.0 112.167 175.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.579 HG23 HG12 ' A' ' 81' ' ' VAL . 9.9 pt -80.11 -160.49 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.386 175.491 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -60.18 91.74 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 121.542 0.687 . . . . 0.0 110.451 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 24.8 mmm180 -109.31 -19.45 13.29 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.213 -176.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 53.9 mm-40 -73.21 -33.95 65.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.085 0.469 . . . . 0.0 110.456 -174.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -128.44 38.72 3.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.253 -179.101 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.49 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.4 t90 -71.1 171.3 11.18 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.865 -176.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.772 HD23 ' H ' ' A' ' 89' ' ' LEU . 2.3 pt? -115.86 32.73 5.91 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.219 -172.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.433 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -50.83 -68.66 1.38 Allowed Glycine 0 CA--C 1.519 0.342 0 N-CA-C 114.559 0.584 . . . . 0.0 114.559 -172.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -62.91 -36.92 84.98 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.852 0.358 . . . . 0.0 110.557 -171.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -79.86 -14.35 58.72 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.562 -174.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.529 HG13 HD22 ' A' ' 94' ' ' LEU . 5.4 p -98.12 -40.02 9.07 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.324 177.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.529 HD22 HG13 ' A' ' 93' ' ' VAL . 3.3 mm? -66.61 -27.66 67.88 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-O 120.774 0.321 . . . . 0.0 110.565 177.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.63 -34.67 67.49 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.291 178.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -146.08 106.89 4.21 Favored Pre-proline 0 C--O 1.234 0.26 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 179.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 44.5 Cg_endo -68.65 161.23 46.13 Favored 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 121.885 1.723 . . . . 0.0 112.069 -176.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -163.38 151.51 11.49 Favored Pre-proline 0 C--N 1.327 -0.408 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.651 -176.43 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_endo -61.63 -22.41 74.37 Favored 'Trans proline' 0 C--N 1.348 0.553 0 C-N-CA 122.611 2.207 . . . . 0.0 111.538 -179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -102.77 40.8 1.32 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.426 ' HE1' ' O ' ' A' ' 93' ' ' VAL . 8.3 tpt -58.99 -70.49 0.15 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.528 -173.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -121.36 26.31 8.95 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.287 -176.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.46 ' O ' ' HB3' ' A' ' 106' ' ' GLN . 13.6 ttp180 -64.85 -32.7 74.52 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.777 -174.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.02 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.286 0.565 . . . . 0.0 109.98 175.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.416 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 24.4 mp0 -70.48 -27.23 64.06 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.342 -0.844 . . . . 0.0 110.491 178.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.46 ' HB3' ' O ' ' A' ' 103' ' ' ARG . 7.2 tt0 -60.73 -53.0 62.73 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.78 -0.646 . . . . 0.0 109.867 175.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HA ' ' HB3' ' A' ' 110' ' ' PHE . 4.2 mm? -72.91 -18.66 61.38 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.02 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.411 ' HB3' ' O ' ' A' ' 105' ' ' GLN . 5.4 tp-100 -60.18 -54.29 47.54 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 172.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.508 HD11 HG12 ' A' ' 81' ' ' VAL . 29.3 mm -63.11 -45.79 97.73 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.652 177.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.436 ' HB3' ' HA ' ' A' ' 107' ' ' LEU . 66.6 t80 -54.6 -56.46 18.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.757 -178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.6 m-20 -69.87 -19.2 63.44 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.151 -176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.4 tt -67.96 -59.99 2.85 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 177.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.56 ' HB3' ' OG ' ' A' ' 117' ' ' SER . 25.8 mmt -75.53 -19.8 59.1 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.28 -176.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.3 tttm -57.46 -21.29 36.25 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.106 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -121.32 17.98 11.44 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.766 -177.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -141.27 -90.49 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 O-C-N 122.355 -0.216 . . . . 0.0 110.977 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.56 ' OG ' ' HB3' ' A' ' 113' ' ' MET . 18.5 p -62.81 -38.22 89.85 Favored 'General case' 0 C--N 1.334 -0.099 0 CA-C-N 116.885 -0.143 . . . . 0.0 110.946 -175.332 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 30.0 t80 -53.75 -59.34 4.74 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 120.856 0.36 . . . . 0.0 110.599 172.074 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.462 ' O ' ' HE2' ' A' ' 123' ' ' LYS . . . -61.77 -32.17 72.42 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.692 -176.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.421 HH12 ' CD ' ' A' ' 35' ' ' GLU . 15.0 ttp85 -74.31 -38.95 63.19 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.961 -178.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -64.65 -45.92 84.72 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.925 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.5 m -69.28 -7.8 8.81 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.325 -178.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.462 ' HE2' ' O ' ' A' ' 119' ' ' ALA . 57.5 mtmt -109.21 -7.65 15.24 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.921 0.391 . . . . 0.0 110.288 177.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 63.7 m -81.09 160.25 66.23 Favored Pre-proline 0 C--O 1.237 0.405 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.565 174.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_endo -61.71 -169.07 0.06 OUTLIER 'Trans proline' 0 C--N 1.353 0.77 0 C-N-CA 122.393 2.062 . . . . 0.0 111.354 174.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.5 tt 72.45 -59.22 0.57 Allowed 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 122.595 0.358 . . . . 0.0 110.468 -177.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -58.73 -50.11 75.1 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.057 -179.717 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 29.8 mmm180 -56.0 -38.33 70.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.51 177.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -75.65 -28.97 58.95 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.414 -176.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 83.5 m -83.23 -27.0 30.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.062 0.458 . . . . 0.0 110.411 178.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 49.5 tp -74.71 -37.4 62.59 Favored 'General case' 0 C--O 1.237 0.438 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.039 -177.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.511 ' O ' HD12 ' A' ' 132' ' ' LEU . 4.3 pp -69.16 137.96 53.76 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 121.334 0.588 . . . . 0.0 111.292 -177.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -164.3 -43.49 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.8 mp0 -86.69 -150.38 0.15 Allowed 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 114.889 -1.051 . . . . 0.0 108.178 170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 63.85 -70.86 0.07 Allowed 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 122.826 0.45 . . . . 0.0 111.45 179.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 . . . . . 0 C--O 1.234 0.257 0 CA-C-O 121.0 0.429 . . . . 0.0 110.149 175.022 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.3 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.616 0.246 . . . . 0.0 110.764 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.1 mmt -67.29 -44.05 80.21 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.663 -0.244 . . . . 0.0 110.472 -178.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.4 m 63.76 90.76 0.08 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.658 178.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -115.88 136.25 53.22 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.857 -177.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.526 ' HG2' ' HG2' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -168.07 -43.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 171.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.526 ' HG2' ' HG2' ' A' ' 5' ' ' GLU . 26.0 pt20 -172.57 77.26 0.44 Allowed Pre-proline 0 CA--C 1.534 0.344 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.563 175.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -79.46 34.09 0.51 Allowed 'Trans proline' 0 CA--C 1.533 0.457 0 C-N-CA 122.853 2.369 . . . . 0.0 112.539 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.5 m -66.84 -37.75 80.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.218 -176.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.23 -9.64 58.73 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.729 0.3 . . . . 0.0 111.337 -179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.9 m -81.86 -13.02 58.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.212 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -63.49 -35.98 82.25 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 110.496 -179.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.13 -5.32 38.39 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.383 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.3 mt -94.86 -35.11 12.18 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.708 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 25.1 m -152.25 132.86 13.92 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.095 0.474 . . . . 0.0 110.93 -178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -65.75 -42.08 91.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.186 -179.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -56.4 -36.38 68.83 Favored 'General case' 0 C--O 1.222 -0.347 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.444 176.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -61.77 -42.52 99.1 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.992 0.425 . . . . 0.0 110.264 178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.8 tp -69.26 -41.34 77.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.288 0.566 . . . . 0.0 111.102 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 110' ' ' PHE . 25.2 tp -89.09 -22.19 23.03 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.753 -166.308 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -97.79 -24.72 15.33 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.637 0.256 . . . . 0.0 111.338 -174.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -83.76 136.77 41.58 Favored Pre-proline 0 N--CA 1.464 0.269 0 CA-C-N 116.812 -0.176 . . . . 0.0 110.64 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -59.47 -41.96 52.72 Favored 'Trans proline' 0 C--N 1.35 0.657 0 C-N-CA 122.783 2.322 . . . . 0.0 112.313 -176.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -63.03 -44.08 96.91 Favored 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.491 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.94 32.83 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.52 178.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.0 mt -55.72 -34.54 65.21 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 122.258 0.223 . . . . 0.0 111.429 177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.558 ' O ' ' HG3' ' A' ' 30' ' ' GLU . . . -56.24 -64.69 0.78 Allowed 'General case' 0 C--N 1.332 -0.193 0 O-C-N 123.232 0.333 . . . . 0.0 110.773 -178.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.407 ' CD2' HD21 ' A' ' 126' ' ' LEU . 87.3 m-85 -68.25 -35.17 77.5 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.873 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -62.09 -46.21 90.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.657 -177.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.2 t -71.69 -30.8 66.08 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.443 -178.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 26' ' ' ALA . 53.6 mt-10 -63.6 -55.38 24.17 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-O 120.885 0.374 . . . . 0.0 110.495 178.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.448 ' O ' ' HB3' ' A' ' 34' ' ' LYS . 54.6 t80 -66.3 -33.79 76.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.599 -178.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 13.2 tp -76.51 -25.56 54.33 Favored 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.39 -178.009 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 61.7 mmtt -78.29 -27.57 47.38 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 172.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 0.4 OUTLIER -55.33 -40.94 71.79 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.167 0.508 . . . . 0.0 110.174 176.6 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -87.19 -6.94 58.43 Favored 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.549 177.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 15.9 t80 55.46 69.49 0.73 Allowed 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.579 -171.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.1 p -153.35 15.55 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.239 -0.892 . . . . 0.0 110.327 178.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.438 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -81.02 4.31 20.13 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.693 -179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -58.7 -29.52 66.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.512 -179.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -64.7 -45.49 86.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.389 178.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 38' ' ' ALA . 26.9 m -78.86 -31.66 15.22 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.142 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 -178.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 35.0 m -59.98 -40.87 90.61 Favored 'General case' 0 C--O 1.234 0.277 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 174.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -64.72 -49.42 70.92 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.444 175.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.409 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 81.7 t90 -57.68 -46.91 83.67 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.615 -178.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.3 mtpm? -62.6 -47.54 83.35 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.703 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.59 -41.53 94.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.544 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.714 ' SG ' ' HB2' ' A' ' 106' ' ' GLN . 41.8 t -66.05 -39.14 89.88 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.617 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -65.63 -33.58 76.23 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.125 0.488 . . . . 0.0 109.967 178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.473 ' HA ' ' HG2' ' A' ' 52' ' ' GLN . 44.7 mtm105 -78.25 -4.36 47.41 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.776 176.28 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -96.56 -44.57 7.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.887 177.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' H ' ' HG2' ' A' ' 51' ' ' GLN . 13.7 pt20 -81.21 -5.51 57.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.518 -179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.473 ' HG2' ' HA ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -79.46 -17.75 53.55 Favored 'General case' 0 C--O 1.235 0.291 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 174.382 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.509 HG12 HE21 ' A' ' 60' ' ' GLN . 50.6 mt -70.89 121.66 84.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.488 177.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 16.5 Cg_exo -68.94 17.83 0.16 Allowed 'Trans proline' 0 CA--C 1.538 0.702 0 C-N-CA 123.147 2.564 . . . . 0.0 113.693 -174.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.511 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 75.87 -24.13 0.23 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.588 0.755 . . . . 0.0 112.017 179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.5 p -56.5 -59.19 5.35 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 122.695 0.398 . . . . 0.0 111.612 -177.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -80.09 82.84 6.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.387 0.613 . . . . 0.0 109.614 179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.469 ' HA ' HD12 ' A' ' 61' ' ' LEU . 48.1 m -68.26 -28.59 67.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.703 -173.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -59.78 -39.38 84.71 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 120.732 0.301 . . . . 0.0 110.198 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.509 HE21 HG12 ' A' ' 53' ' ' ILE . 26.8 tt0 -69.54 -33.16 72.37 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.176 179.126 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.511 HD11 ' HA ' ' A' ' 55' ' ' ALA . 92.4 mt -57.6 -49.84 75.11 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.906 175.1 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.12 -44.05 97.94 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.877 179.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.495 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 14.2 mm100 -59.96 -54.51 45.3 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.41 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -67.24 -38.5 85.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.849 0.357 . . . . 0.0 110.062 -176.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.79 -48.6 81.08 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.992 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.495 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 0.9 OUTLIER -69.52 -31.42 69.63 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.853 0.359 . . . . 0.0 110.258 -178.165 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . 0.478 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 6.8 t30 -59.85 -60.82 3.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.873 174.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.9 mt -58.72 -40.74 80.43 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.674 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.572 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 84.9 t80 -58.24 -59.33 5.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.544 -0.753 . . . . 0.0 111.122 -178.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.506 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 25.3 mt-30 -65.97 -18.69 65.51 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -173.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 67' ' ' ASN . 32.7 mm-40 -92.65 -42.56 9.56 Favored 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 112.18 0.437 . . . . 0.0 112.18 -177.322 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 m-85 -117.89 -27.25 6.24 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -173.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 37.1 mt -110.15 -6.05 15.19 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.928 0.714 . . . . 0.0 112.928 -166.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.506 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 37.4 p -73.36 75.5 1.38 Allowed 'General case' 0 CA--C 1.532 0.255 0 CA-C-O 120.95 0.405 . . . . 0.0 111.015 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 49.4 m 50.1 -89.62 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.76 -179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -112.42 53.31 0.74 Allowed 'General case' 0 C--O 1.234 0.288 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -55.67 175.74 0.08 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 114.477 -1.238 . . . . 0.0 112.994 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.489 ' H ' HD12 ' A' ' 78' ' ' LEU . 6.0 mp -58.47 -51.14 71.09 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.435 -0.802 . . . . 0.0 110.374 -178.061 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 19.2 m -125.03 85.55 57.77 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.342 176.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -74.59 113.39 3.78 Favored 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.502 2.135 . . . . 0.0 112.571 -175.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.565 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.8 m -73.33 127.34 35.2 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.547 174.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -72.93 104.63 4.12 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.827 179.303 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 20.7 pt -140.37 -161.95 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.493 -176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' GLN . 2.9 m-20 -48.56 -48.41 38.8 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 122.919 0.488 . . . . 0.0 110.546 179.156 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 55.78 -78.46 0.01 OUTLIER 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.017 -0.992 . . . . 0.0 111.629 175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 84' ' ' ASP . 76.2 mt-30 -62.79 -36.86 84.51 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 121.111 0.482 . . . . 0.0 110.226 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -93.02 9.53 35.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.018 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.51 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 3.3 t90 -78.99 159.57 27.59 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 -179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.878 ' H ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -72.46 -25.89 61.61 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.633 0.254 . . . . 0.0 111.671 -173.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.429 ' N ' HD22 ' A' ' 89' ' ' LEU . . . 94.65 -152.95 20.77 Favored Glycine 0 CA--C 1.521 0.429 0 C-N-CA 121.124 -0.56 . . . . 0.0 113.566 175.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -79.77 -8.91 59.55 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 122.649 0.38 . . . . 0.0 111.815 -172.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -60.29 -23.42 64.14 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 120.935 0.398 . . . . 0.0 110.534 -177.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.525 HG13 HD22 ' A' ' 94' ' ' LEU . 11.6 p -65.91 -23.82 32.96 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.016 -179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.525 HD22 HG13 ' A' ' 93' ' ' VAL . 3.8 mm? -70.38 -31.61 68.92 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.947 0.403 . . . . 0.0 110.113 176.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.75 -56.59 3.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.532 -179.466 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 20.2 mm-40 -122.13 89.67 48.74 Favored Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.332 -177.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -90.61 170.55 3.64 Favored 'Trans proline' 0 N--CA 1.458 -0.564 0 C-N-CA 122.751 2.301 . . . . 0.0 113.02 -178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.772 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -166.92 152.37 7.38 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 173.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.435 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 27.1 Cg_endo -58.45 -28.93 86.95 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 C-N-CA 122.818 2.345 . . . . 0.0 113.679 -168.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -93.34 2.36 56.58 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -173.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.772 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 11.0 mmt -52.32 -54.5 30.77 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 120.806 0.336 . . . . 0.0 111.596 -179.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 -90.91 -2.67 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.571 -173.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 103' ' ' ARG . 41.3 ttp180 -58.6 -34.91 71.65 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 121.085 0.469 . . . . 0.0 110.636 -176.417 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.25 -45.44 93.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.292 178.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 25.5 mp0 -76.27 -22.61 54.88 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.088 -179.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.714 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 32.2 tt0 -57.49 -55.91 28.72 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.011 -0.736 . . . . 0.0 109.011 173.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.436 ' HG ' ' ND2' ' A' ' 111' ' ' ASN . 16.4 tp -71.13 -29.63 65.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 114.934 -1.03 . . . . 0.0 110.287 -178.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -57.1 -56.47 21.36 Favored 'General case' 0 N--CA 1.464 0.268 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.565 HD11 ' HB ' ' A' ' 81' ' ' VAL . 13.7 mm -62.01 -38.63 81.22 Favored 'Isoleucine or valine' 0 C--O 1.232 0.136 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.419 177.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.436 ' CD2' HD23 ' A' ' 19' ' ' LEU . 48.6 t80 -52.0 -55.51 20.0 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.725 178.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.436 ' ND2' ' HG ' ' A' ' 107' ' ' LEU . 54.4 m-80 -70.14 -29.39 66.29 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.964 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.1 tp -63.36 -47.95 79.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.964 0.411 . . . . 0.0 110.668 -179.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.613 ' HB2' ' OG ' ' A' ' 117' ' ' SER . 25.0 ptt? -92.7 3.14 56.17 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.298 -178.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -61.76 -19.47 62.5 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.765 177.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 37.5 p90 -130.05 19.52 5.45 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 120.861 0.363 . . . . 0.0 111.103 178.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.549 ' HB2' ' HA ' ' A' ' 113' ' ' MET . 1.5 m-20 -123.59 -81.93 0.64 Allowed 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.643 179.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.613 ' OG ' ' HB2' ' A' ' 113' ' ' MET . 62.4 p -64.11 -39.55 94.29 Favored 'General case' 0 C--O 1.233 0.235 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 178.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.404 ' O ' HG22 ' A' ' 122' ' ' VAL . 70.9 t80 -58.37 -54.0 51.94 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.173 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.508 ' O ' ' HD3' ' A' ' 123' ' ' LYS . . . -61.41 -26.2 67.7 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.549 -0.751 . . . . 0.0 111.347 -177.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 16.6 tpt180 -76.56 -52.04 10.49 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 121.136 0.493 . . . . 0.0 110.546 178.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -65.38 -43.4 90.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.696 -172.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 123' ' ' LYS . 34.1 m -69.11 -8.08 9.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.385 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.561 -177.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 122' ' ' VAL . 2.4 mptm? -104.67 -18.4 14.31 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 116.79 -0.186 . . . . 0.0 111.126 174.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 78.2 p -60.25 144.77 87.1 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.546 0.213 . . . . 0.0 111.539 -176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -56.64 -32.05 89.22 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.591 2.194 . . . . 0.0 111.844 176.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.453 HD23 ' HG ' ' A' ' 130' ' ' CYS . 7.1 tt -57.1 -46.26 82.74 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.555 179.09 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.473 ' O ' HD13 ' A' ' 131' ' ' LEU . 53.2 t80 -55.0 -47.99 73.9 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.513 178.245 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mmt180 -63.52 -39.37 94.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.872 -178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -65.3 -30.74 71.63 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.789 0.328 . . . . 0.0 110.304 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.453 ' HG ' HD23 ' A' ' 126' ' ' LEU . 76.4 m -69.5 -31.49 69.78 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.241 176.275 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 127' ' ' TYR . 10.8 mp -70.04 -59.73 2.73 Favored 'General case' 0 C--O 1.236 0.381 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.982 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' A' ' 136' ' ' GLU . 0.0 OUTLIER -174.18 158.82 3.09 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.714 176.198 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -141.24 24.15 2.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.396 0.617 . . . . 0.0 110.072 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -116.5 118.49 32.82 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.448 -0.796 . . . . 0.0 109.993 -174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 77.36 -64.59 0.31 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.226 0.953 . . . . 0.0 111.306 175.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.575 ' HB2' HD21 ' A' ' 132' ' ' LEU . 1.9 mp0 . . . . . 0 C--N 1.33 -0.254 0 CA-C-O 120.761 0.315 . . . . 0.0 110.21 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.7 t . . . . . 0 N--CA 1.481 1.111 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 87.6 mtp 64.38 -179.02 0.17 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.078 0.551 . . . . 0.0 110.9 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.8 t -115.12 168.8 9.62 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.377 -178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -80.0 -178.7 6.63 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.224 176.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -57.61 139.14 54.34 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.327 0.584 . . . . 0.0 112.111 -174.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -106.2 162.47 19.6 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.369 177.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -56.89 167.91 2.77 Favored 'Trans proline' 0 CA--C 1.536 0.595 0 C-N-CA 122.452 2.101 . . . . 0.0 112.822 177.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -67.34 -29.08 44.55 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.221 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.256 -178.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.65 -15.41 58.23 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.024 0.44 . . . . 0.0 111.114 -179.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.453 ' HB2' ' HE ' ' A' ' 17' ' ' ARG . 20.2 m -74.91 -7.03 52.35 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.557 -179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 51.1 m0 -59.11 -37.65 77.67 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.208 0.527 . . . . 0.0 109.966 176.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -73.54 -2.36 22.41 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.643 -178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 92.3 mt -87.18 -40.32 14.69 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.769 0.319 . . . . 0.0 110.397 177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.7 m -153.54 132.11 12.18 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.031 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.489 ' CE2' HD22 ' A' ' 19' ' ' LEU . 26.8 t80 -58.99 -43.52 91.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.509 175.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.571 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.0 mp0 -42.72 -59.46 1.93 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 114.938 -1.028 . . . . 0.0 110.299 172.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.453 ' HE ' ' HB2' ' A' ' 10' ' ' SER . 0.0 OUTLIER -56.38 -35.57 67.87 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.835 -174.539 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -71.55 -46.03 60.65 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 121.484 0.659 . . . . 0.0 110.722 176.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.489 HD22 ' CE2' ' A' ' 15' ' ' PHE . 30.9 tp -73.5 -23.47 60.04 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.896 -1.047 . . . . 0.0 111.901 -168.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.516 ' HG2' ' O ' ' A' ' 16' ' ' GLU . 1.9 pt20 -104.44 17.2 24.58 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.451 177.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.445 ' HB2' ' NH1' ' A' ' 17' ' ' ARG . 21.7 t70 -107.32 123.65 37.55 Favored Pre-proline 0 C--N 1.329 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 175.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -57.29 -43.33 53.39 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.509 2.14 . . . . 0.0 112.831 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.3 tt -69.59 -45.54 68.38 Favored 'General case' 0 C--O 1.238 0.492 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.49 -58.6 13.1 Favored Glycine 0 N--CA 1.446 -0.65 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.164 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -57.52 -31.78 66.39 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 122.385 0.274 . . . . 0.0 110.367 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.64 -56.37 22.19 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.832 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 44.9 m-85 -68.12 -39.64 82.7 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-O 121.195 0.522 . . . . 0.0 110.575 177.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.403 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 16.4 t80 -59.45 -39.79 84.73 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.121 -177.242 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 13.5 t -82.71 -21.73 34.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.774 -0.194 . . . . 0.0 110.534 179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -58.55 -65.55 0.64 Allowed 'General case' 0 C--O 1.236 0.393 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.4 p90 -69.96 -30.1 67.38 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.554 -176.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 29.8 tp -67.75 -32.22 72.68 Favored 'General case' 0 CA--C 1.532 0.279 0 CA-C-N 116.572 -0.285 . . . . 0.0 110.813 -179.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 8.7 tmtm? -73.45 -34.71 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 N-CA-C 108.673 -0.862 . . . . 0.0 108.673 174.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 41.8 tttp -61.31 -34.25 74.92 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.457 175.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -89.69 5.23 46.77 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.362 -0.836 . . . . 0.0 110.681 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 71.2 t80 73.99 -25.48 0.2 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.83 0.852 . . . . 0.0 112.686 177.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.7 t -80.55 23.96 0.49 Allowed 'General case' 0 C--O 1.236 0.375 0 O-C-N 122.137 -0.352 . . . . 0.0 111.707 -170.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.6 -15.28 6.99 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.145 173.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.694 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 13.0 mt-10 -36.23 -46.79 0.54 Allowed 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 114.845 -1.071 . . . . 0.0 110.86 175.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.651 ' HB3' ' SD ' ' A' ' 113' ' ' MET . 50.5 m-80 -60.12 -64.63 0.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.598 -177.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.463 ' HB ' HD21 ' A' ' 25' ' ' LEU . 30.6 m -65.15 -32.48 58.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.864 -174.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.411 HG22 ' HZ ' ' A' ' 72' ' ' PHE . 19.6 m -70.76 -39.67 73.1 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.909 0.385 . . . . 0.0 110.136 179.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.494 ' O ' ' HB3' ' A' ' 46' ' ' ALA . 76.6 t80 -66.69 -40.3 88.46 Favored 'General case' 0 C--O 1.231 0.09 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.878 176.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.549 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 62.2 t90 -68.39 -35.66 78.02 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.578 ' HE2' HD13 ' A' ' 25' ' ' LEU . 20.1 mttm -63.12 -24.61 67.97 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.997 0.427 . . . . 0.0 110.473 175.635 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.511 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -64.2 -30.44 71.5 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.289 175.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.531 ' SG ' ' O ' ' A' ' 44' ' ' TRP . 12.5 p -72.93 -46.69 51.17 Favored 'General case' 0 N--CA 1.463 0.202 0 C-N-CA 121.29 -0.164 . . . . 0.0 110.811 -177.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.431 ' N ' ' SG ' ' A' ' 47' ' ' CYS . 12.2 pt-20 -60.39 -23.36 64.28 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.013 0.435 . . . . 0.0 110.543 -178.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.431 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 41.3 ttp180 -93.69 -29.05 15.61 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.047 176.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 9.5 t80 -67.4 -50.6 58.88 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.175 -179.107 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.447 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 20.1 pt20 -71.91 -13.25 61.6 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.695 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.431 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 29.1 tt0 -67.53 -30.22 69.82 Favored 'General case' 0 C--O 1.235 0.301 0 CA-C-O 121.083 0.468 . . . . 0.0 110.06 178.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.449 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 55.9 mt -81.65 124.64 79.62 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.226 178.159 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 9.3 Cg_endo -89.38 24.89 0.63 Allowed 'Trans proline' 0 C--N 1.35 0.658 0 C-N-CA 123.029 2.486 . . . . 0.0 112.436 -171.037 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.476 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 63.04 -165.48 0.24 Allowed 'General case' 0 C--O 1.233 0.2 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.461 -176.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t 77.5 -31.06 0.17 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 123.437 0.695 . . . . 0.0 110.919 175.697 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -91.58 75.97 5.82 Favored 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 174.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 24.0 m -57.82 -30.32 65.64 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.218 -174.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.404 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 34.5 tt0 -59.46 -54.61 44.63 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.028 174.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 19.5 tp60 -58.12 -48.47 80.12 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.115 177.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.424 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 83.3 mt -53.79 -41.38 67.18 Favored 'General case' 0 C--N 1.332 -0.185 0 O-C-N 123.538 0.524 . . . . 0.0 111.23 -178.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.71 -32.38 73.85 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.092 0.472 . . . . 0.0 110.38 177.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.404 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 15.7 mm100 -74.57 -61.54 1.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.979 -176.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' OE1' ' HA ' ' A' ' 61' ' ' LEU . 0.7 OUTLIER -68.36 -38.07 81.09 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 120.623 -0.431 . . . . 0.0 110.56 -172.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.58 -45.56 91.5 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.896 0.379 . . . . 0.0 110.594 175.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 37.9 ttp180 -67.38 -32.85 74.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.825 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -61.13 -54.26 46.69 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.046 176.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 70.9 mt -59.52 -38.28 74.46 Favored 'Isoleucine or valine' 0 C--O 1.238 0.484 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.355 179.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.2 t80 -57.06 -62.86 1.45 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.457 178.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -72.41 -1.82 17.09 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -174.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.653 ' HA ' HD13 ' A' ' 78' ' ' LEU . 27.7 tt0 -109.19 -33.37 6.89 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 111.879 0.326 . . . . 0.0 111.879 -175.188 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.411 ' HZ ' HG22 ' A' ' 42' ' ' THR . 75.4 m-85 -129.16 -36.66 1.72 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.79 0.329 . . . . 0.0 111.539 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.562 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 60.2 mt -88.6 -20.01 25.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.956 -170.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.6 p -72.05 164.02 26.87 Favored 'General case' 0 C--O 1.239 0.505 0 CA-C-O 120.614 0.245 . . . . 0.0 110.484 -179.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.8 t -64.31 -55.9 18.18 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.133 -178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 22.6 tt0 -99.29 45.72 0.99 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.691 0.757 . . . . 0.0 109.359 -179.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.482 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . -58.76 161.68 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.102 -179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.653 HD13 ' HA ' ' A' ' 71' ' ' GLU . 7.1 mp -58.59 -42.35 87.87 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.44 0.638 . . . . 0.0 109.354 176.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.694 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 26.4 p -143.05 87.03 8.9 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.048 173.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -65.09 102.8 0.46 Allowed 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.51 2.14 . . . . 0.0 111.846 -177.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.537 ' HB ' HD11 ' A' ' 109' ' ' ILE . 16.1 m -60.81 -13.73 7.74 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.97 -178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.7 t30 67.12 19.42 10.43 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 122.86 0.464 . . . . 0.0 111.828 171.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.473 HG12 HG23 ' A' ' 81' ' ' VAL . 19.3 pt -69.61 -168.54 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.723 176.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -70.02 80.28 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.374 0.607 . . . . 0.0 110.898 -179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.546 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 87.4 mtm180 -89.38 -41.31 12.19 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.955 177.24 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 91.4 mt-30 -62.55 -24.88 67.76 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.767 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -118.58 27.86 8.67 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.039 179.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.546 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 12.4 t90 -84.55 167.88 15.91 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.896 -176.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 44.8 mt -53.35 -61.83 2.05 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.629 -178.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 118.36 -166.04 12.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 121.016 -0.611 . . . . 0.0 113.559 174.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.554 ' HA ' HD23 ' A' ' 94' ' ' LEU . 10.2 pt-20 -54.73 -17.39 3.4 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 123.881 0.873 . . . . 0.0 112.852 -177.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -59.33 -28.01 66.42 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 121.149 0.499 . . . . 0.0 110.055 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.45 HG11 ' CE1' ' A' ' 102' ' ' PHE . 97.5 t -69.22 -40.06 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.75 179.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.554 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -71.95 -22.3 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.177 -178.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -77.46 -50.21 13.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.197 176.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -132.99 96.95 17.22 Favored Pre-proline 0 CA--C 1.532 0.261 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.262 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_endo -87.2 170.06 7.11 Favored 'Trans proline' 0 CA--C 1.535 0.564 0 C-N-CA 123.155 2.57 . . . . 0.0 113.47 -176.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -169.41 142.41 2.15 Favored Pre-proline 0 N--CA 1.464 0.261 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.118 -177.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.476 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 84.4 Cg_endo -75.44 16.98 0.68 Allowed 'Trans proline' 0 N--CA 1.476 0.449 0 C-N-CA 123.006 2.471 . . . . 0.0 113.592 -169.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -136.51 6.5 3.0 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.823 0.344 . . . . 0.0 110.463 178.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.439 ' HG2' HG13 ' A' ' 93' ' ' VAL . 3.1 tpt -60.73 -32.9 72.15 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 -171.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.458 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 16.3 m-85 -105.83 11.58 31.75 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.7 mtm180 -57.61 -42.02 82.44 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 117.831 0.287 . . . . 0.0 111.356 -176.039 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.69 -54.75 42.53 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.945 0.402 . . . . 0.0 111.035 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -61.93 -34.15 75.55 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.82 -179.451 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.549 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 77.7 mm-40 -59.06 -48.12 82.77 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.141 -179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 107' ' ' LEU . 4.4 mm? -69.63 -25.78 64.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.234 -179.287 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 57.4 tp60 -59.29 -52.4 65.83 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.164 0.506 . . . . 0.0 109.654 175.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.537 HD11 ' HB ' ' A' ' 81' ' ' VAL . 14.1 mm -63.93 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.726 177.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HZ ' ' HG3' ' A' ' 16' ' ' GLU . 62.3 t80 -52.17 -51.84 55.57 Favored 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.468 177.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -69.43 -31.27 69.49 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.311 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 58.1 tp -58.48 -51.29 70.48 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 120.95 0.405 . . . . 0.0 110.546 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.651 ' SD ' ' HB3' ' A' ' 40' ' ' ASN . 20.8 ptt? -85.71 -15.91 40.73 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.379 -179.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 63.1 tttp -55.08 -35.61 64.76 Favored 'General case' 0 N--CA 1.468 0.468 0 C-N-CA 122.792 0.437 . . . . 0.0 111.452 -179.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -119.3 24.4 10.74 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.889 -179.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 21.1 t70 -133.82 -83.54 0.45 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.261 -176.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 10.5 m -61.76 -36.15 80.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.248 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 54.3 t80 -62.17 -48.37 80.35 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.439 175.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.76 -34.4 72.93 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.59 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 19.2 tpt180 -71.74 -42.56 67.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.496 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 90.8 t80 -61.04 -55.98 26.35 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.616 -176.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 28.6 m -67.64 -17.68 22.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.722 0.296 . . . . 0.0 111.392 -176.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -92.51 -28.64 16.67 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.897 -178.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 73.4 p -70.96 145.07 91.17 Favored Pre-proline 0 C--O 1.236 0.372 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.208 178.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 65.6 Cg_exo -51.81 -26.5 24.18 Favored 'Trans proline' 0 C--N 1.352 0.738 0 C-N-CA 122.854 2.37 . . . . 0.0 112.755 -179.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.415 HD23 ' O ' ' A' ' 126' ' ' LEU . 6.3 tt -47.3 -44.82 23.71 Favored 'General case' 0 C--O 1.235 0.334 0 C-N-CA 122.88 0.472 . . . . 0.0 110.604 179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.433 ' O ' HD13 ' A' ' 131' ' ' LEU . 32.8 t80 -57.8 -48.11 80.65 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.238 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -63.59 -36.39 83.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.566 -179.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -62.47 -35.12 78.31 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.662 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 67.7 m -72.51 -31.81 65.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.673 178.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.433 HD13 ' O ' ' A' ' 127' ' ' TYR . 11.2 mp -86.52 -15.18 40.81 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.37 179.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 96.5 mt 65.08 105.35 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 O-C-N 123.618 0.574 . . . . 0.0 110.053 -175.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -46.26 -50.28 16.23 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.864 -175.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -164.49 108.4 0.93 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 178.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -138.87 -62.39 0.55 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.95 -179.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 C--N 1.329 -0.317 0 CA-C-O 120.966 0.412 . . . . 0.0 111.312 -174.75 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 N--CA 1.477 0.921 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.502 ' SD ' HG22 ' A' ' 3' ' ' THR . 0.2 OUTLIER -146.35 -57.3 0.29 Allowed 'General case' 0 C--O 1.235 0.326 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 -177.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.502 HG22 ' SD ' ' A' ' 2' ' ' MET . 10.1 t -167.13 149.12 5.98 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.726 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -77.19 -20.96 54.69 Favored 'General case' 0 C--O 1.237 0.439 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.759 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' HG3' ' HB3' ' A' ' 10' ' ' SER . 33.5 tt0 58.66 71.37 0.59 Allowed 'General case' 0 C--O 1.234 0.289 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.696 178.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.431 ' H ' ' HD2' ' A' ' 7' ' ' PRO . 6.1 tp-100 -94.73 -50.95 0.25 Allowed Pre-proline 0 CA--C 1.543 0.678 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.636 178.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.431 ' HD2' ' H ' ' A' ' 6' ' ' GLN . 67.3 Cg_endo -71.99 152.44 57.26 Favored 'Trans proline' 0 C--N 1.361 1.187 0 C-N-CA 121.859 1.706 . . . . 0.0 112.869 -176.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 32.8 m -66.31 -12.63 14.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.309 0 CA-C-N 115.638 -0.71 . . . . 0.0 111.524 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.25 -13.39 3.14 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-O 120.98 0.419 . . . . 0.0 111.289 178.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.435 ' HB3' ' HG3' ' A' ' 5' ' ' GLU . 6.3 p -56.74 -22.29 34.46 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.019 178.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 21.8 m0 -57.21 -36.82 71.35 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 120.984 0.421 . . . . 0.0 110.525 177.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.85 -6.59 45.97 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.766 -175.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 90.3 mt -80.3 -43.24 21.61 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.354 178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.4 m -154.68 139.56 17.22 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.458 -179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.467 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 19.5 t80 -57.97 -44.49 87.1 Favored 'General case' 0 C--O 1.225 -0.229 0 CA-C-O 120.865 0.364 . . . . 0.0 110.264 178.441 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -46.14 -47.39 17.52 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.062 173.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.422 ' HD3' ' O ' ' A' ' 17' ' ' ARG . 0.4 OUTLIER -59.78 -45.06 93.45 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -178.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 tp -62.58 -47.62 83.04 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.575 0.702 . . . . 0.0 110.842 177.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.574 HD12 ' HG ' ' A' ' 25' ' ' LEU . 21.4 tp -73.97 -19.17 60.75 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.093 -171.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.5 -1.45 50.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.522 177.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -103.88 118.17 57.89 Favored Pre-proline 0 CA--C 1.531 0.215 0 N-CA-C 109.964 -0.384 . . . . 0.0 109.964 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 50.5 Cg_exo -54.76 -46.39 33.73 Favored 'Trans proline' 0 C--N 1.35 0.612 0 C-N-CA 122.806 2.337 . . . . 0.0 113.122 -177.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.7 tt -61.79 -49.91 74.45 Favored 'General case' 0 C--O 1.236 0.349 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 -178.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.03 -57.06 21.88 Favored Glycine 0 N--CA 1.448 -0.561 0 CA-C-N 115.554 -0.748 . . . . 0.0 112.456 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.574 ' HG ' HD12 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -54.73 -38.18 66.81 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 122.542 0.337 . . . . 0.0 110.74 -179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.69 -55.87 29.32 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.191 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 78.9 m-85 -72.01 -28.64 63.52 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.826 -179.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.51 ' O ' ' HB2' ' A' ' 32' ' ' LEU . 23.2 t80 -58.91 -56.43 22.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.92 176.304 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 11.8 t -69.92 -19.81 63.37 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.889 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -61.48 -57.63 11.41 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.732 -179.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.571 ' HZ ' ' HA ' ' A' ' 121' ' ' PHE . 13.8 p90 -90.19 -9.42 48.2 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.698 0.285 . . . . 0.0 111.017 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.51 ' HB2' ' O ' ' A' ' 28' ' ' PHE . 31.9 tp -60.71 -11.09 6.39 Favored 'General case' 0 CA--C 1.54 0.577 0 CA-C-O 121.159 0.504 . . . . 0.0 111.531 179.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 65.7 tttm -71.14 -18.92 62.49 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.797 177.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -58.69 -54.17 50.07 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-O 121.174 0.512 . . . . 0.0 110.738 179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' CD ' HH21 ' A' ' 120' ' ' ARG . 12.1 pt-20 -83.14 0.01 47.18 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.587 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.8 t80 57.02 51.11 10.98 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.973 177.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.441 ' OG ' HD11 ' A' ' 32' ' ' LEU . 50.1 p -131.45 18.21 4.83 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.898 173.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.443 ' HA ' HD23 ' A' ' 32' ' ' LEU . . . -65.5 -13.03 57.97 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.84 0.829 . . . . 0.0 110.021 177.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 11.8 mp0 -77.34 -29.06 53.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.495 -1.23 . . . . 0.0 109.761 178.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.444 ' OD1' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -65.89 -44.42 85.34 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.403 -177.541 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.448 HG12 ' SD ' ' A' ' 113' ' ' MET . 31.0 m -70.76 -30.18 40.95 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.346 0 C-N-CA 121.139 -0.224 . . . . 0.0 110.504 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 59.7 m -66.17 -38.99 89.42 Favored 'General case' 0 CA--C 1.53 0.206 0 CA-C-O 120.946 0.403 . . . . 0.0 110.066 177.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.418 ' HD2' HG13 ' A' ' 109' ' ' ILE . 90.5 t80 -64.22 -37.49 87.67 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.308 175.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.577 ' HA ' ' OE1' ' A' ' 106' ' ' GLN . 86.7 t90 -69.02 -49.56 56.62 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.822 -0.627 . . . . 0.0 110.238 178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.522 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 55.8 mtpt -62.64 -28.21 69.75 Favored 'General case' 0 N--CA 1.463 0.201 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.668 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' O ' ' HB2' ' A' ' 50' ' ' PHE . . . -62.31 -33.11 74.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.296 176.031 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.422 ' SG ' ' HG3' ' A' ' 106' ' ' GLN . 48.5 t -85.14 -29.66 24.62 Favored 'General case' 0 C--O 1.232 0.172 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.453 178.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.522 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 1.8 tm-20 -63.2 -46.78 85.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.664 -0.495 . . . . 0.0 109.664 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 60.2 ttp180 -71.92 -22.17 61.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.179 176.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.433 ' HB2' ' O ' ' A' ' 46' ' ' ALA . 42.8 t80 -70.94 -43.31 68.45 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.302 178.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -76.95 -15.08 59.77 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.922 0.392 . . . . 0.0 110.407 177.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 24.9 tt0 -65.71 -27.0 68.01 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.177 0.513 . . . . 0.0 109.746 173.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 72.2 mt -66.1 131.29 94.43 Favored Pre-proline 0 CA--C 1.534 0.356 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.186 178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -71.89 24.49 0.25 Allowed 'Trans proline' 0 CA--C 1.539 0.729 0 C-N-CA 122.967 2.445 . . . . 0.0 114.14 -174.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.48 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 64.64 -73.58 0.05 Allowed 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 175.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.2 m -50.77 -24.79 3.71 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.297 0.639 . . . . 0.0 112.161 -175.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -54.0 -55.5 26.65 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-O 120.897 0.38 . . . . 0.0 109.986 176.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.522 ' HA ' HD12 ' A' ' 61' ' ' LEU . 28.1 m 74.07 -33.12 0.25 Allowed 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.381 175.234 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 -69.07 -54.47 14.89 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 -177.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -54.58 -39.18 67.56 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.067 176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.522 HD12 ' HA ' ' A' ' 58' ' ' THR . 95.2 mt -60.5 -48.79 80.23 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.725 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.33 -50.46 69.93 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.658 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -56.78 -52.83 63.5 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.911 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.496 ' O ' HG13 ' A' ' 68' ' ' ILE . 10.3 tp10 -62.66 -53.7 50.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.82 -176.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -54.12 -43.19 70.27 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.54 -176.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -69.63 -34.71 74.43 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.693 -178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -63.95 -54.32 36.37 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.854 175.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 64' ' ' GLU . 45.3 mt -55.1 -41.25 58.66 Favored 'Isoleucine or valine' 0 C--O 1.237 0.396 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.181 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.549 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 68.6 t80 -56.19 -65.84 0.53 Allowed 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.352 179.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.605 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 80.5 mt-30 -64.9 -13.88 58.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.733 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -84.96 -62.86 1.44 Allowed 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.025 0.441 . . . . 0.0 110.893 -177.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.478 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 71.4 m-85 -110.78 -32.19 6.94 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.921 -174.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 93.6 mt -98.14 1.68 47.75 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 -170.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.605 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 9.1 p -67.2 167.96 11.24 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 121.126 -0.23 . . . . 0.0 110.458 176.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -56.33 -57.34 12.68 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-O 120.789 0.328 . . . . 0.0 110.291 -177.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tp60 -81.24 -60.81 2.14 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 177.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.76 159.98 0.09 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.469 -0.787 . . . . 0.0 112.521 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.437 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.4 mp -73.88 -41.88 61.55 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 173.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.1 t -156.5 104.5 2.0 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.199 177.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.478 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 14.9 Cg_exo -70.95 45.13 0.56 Allowed 'Trans proline' 0 CA--C 1.534 0.509 0 C-N-CA 123.091 2.528 . . . . 0.0 111.987 175.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.483 ' HB ' HD11 ' A' ' 109' ' ' ILE . 0.7 OUTLIER 25.47 -101.99 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 C-N-CA 124.26 1.024 . . . . 0.0 112.823 -171.387 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -172.15 58.13 0.03 OUTLIER 'General case' 0 C--O 1.233 0.235 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.492 HD11 HD21 ' A' ' 73' ' ' LEU . 15.6 pt -140.41 -178.98 1.76 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.97 -174.508 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -98.03 120.55 38.63 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.11 0.481 . . . . 0.0 110.489 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 69.4 mtm180 -105.83 -23.23 12.74 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.219 -177.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.4 tp60 -67.51 -44.89 77.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.823 0.344 . . . . 0.0 111.07 -176.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -88.25 16.73 5.86 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.796 178.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . . . . . . . . . 7.2 t90 -71.0 165.72 22.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.029 -0.532 . . . . 0.0 109.943 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.72 HD22 ' SD ' ' A' ' 101' ' ' MET . 4.3 mp -59.55 -37.6 78.83 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.034 0.445 . . . . 0.0 110.549 -178.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 93.83 -151.72 20.42 Favored Glycine 0 CA--C 1.518 0.269 0 CA-C-N 115.941 -0.572 . . . . 0.0 113.221 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.585 ' HA ' HD23 ' A' ' 94' ' ' LEU . 31.3 mt-10 -64.03 -19.0 64.88 Favored 'General case' 0 C--O 1.237 0.399 0 C-N-CA 123.201 0.6 . . . . 0.0 111.424 -175.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -60.15 -25.81 65.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.942 -178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.478 HG13 ' HG2' ' A' ' 101' ' ' MET . 75.5 t -71.0 -43.46 76.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.928 177.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.585 HD23 ' HA ' ' A' ' 91' ' ' GLU . 1.6 mm? -75.96 -22.19 56.19 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.409 -175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.78 -59.02 2.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.427 175.472 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -124.21 94.11 45.75 Favored Pre-proline 0 CA--C 1.533 0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.069 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.42 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 98.6 Cg_endo -85.51 176.4 5.62 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.679 2.253 . . . . 0.0 112.64 -178.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 13.1 ptm180 -164.75 156.2 13.36 Favored Pre-proline 0 CA--C 1.531 0.217 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 14.7 Cg_endo -55.03 -34.57 87.56 Favored 'Trans proline' 0 C--N 1.352 0.72 0 C-N-CA 122.792 2.328 . . . . 0.0 113.022 -174.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -116.57 103.91 10.88 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.72 ' SD ' HD22 ' A' ' 89' ' ' LEU . 63.0 tpp -137.69 -48.2 0.56 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.132 0.492 . . . . 0.0 110.934 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.459 ' O ' ' HG2' ' A' ' 106' ' ' GLN . 1.8 m-30 -87.49 11.5 14.64 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.44 -174.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 103' ' ' ARG . 24.8 ttt85 -50.92 -54.73 21.59 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.44 0.462 . . . . 0.0 111.32 -173.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.49 -45.02 62.68 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.466 -178.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -66.71 -37.51 84.85 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.225 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.577 ' OE1' ' HA ' ' A' ' 44' ' ' TRP . 71.5 mm-40 -67.02 -34.07 76.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.74 -174.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.8 mp -66.9 -36.16 81.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.696 0.284 . . . . 0.0 110.406 177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.473 ' HG2' HG22 ' A' ' 83' ' ' ILE . 51.5 tp60 -62.88 -45.01 94.55 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.079 176.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.483 HD11 ' HB ' ' A' ' 81' ' ' VAL . 19.8 mm -64.97 -52.53 52.71 Favored 'Isoleucine or valine' 0 C--O 1.237 0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.867 179.023 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.409 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 44.7 t80 -55.01 -51.67 65.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.68 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -72.64 -16.42 61.71 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.694 -175.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 54.7 tp -72.83 -64.94 0.86 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 121.062 0.458 . . . . 0.0 110.555 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.471 ' HB2' ' HB2' ' A' ' 117' ' ' SER . 16.7 ptt? -70.39 -13.19 62.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.121 -178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 84.9 tttt -51.56 -45.85 63.2 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.136 -179.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 43.0 p90 -100.6 11.45 39.47 Favored 'General case' 0 N--CA 1.466 0.364 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -171.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -140.81 -74.8 0.33 Allowed 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 120.54 -0.464 . . . . 0.0 111.516 -173.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.471 ' HB2' ' HB2' ' A' ' 113' ' ' MET . 8.5 m -58.63 -41.56 86.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.044 0.449 . . . . 0.0 110.13 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.467 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 28.0 t80 -60.99 -51.11 70.64 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.654 174.563 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -57.42 -30.56 65.06 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.667 -179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.458 HH21 ' CD ' ' A' ' 35' ' ' GLU . 19.1 ttp-105 -82.9 -33.76 26.83 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.262 -0.881 . . . . 0.0 111.092 -179.158 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.571 ' HA ' ' HZ ' ' A' ' 31' ' ' PHE . 88.5 t80 -57.66 -55.85 29.52 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 110.537 179.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.7 m -66.83 -12.9 15.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.906 -179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -91.97 -20.94 20.85 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.49 179.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.8 m -71.27 141.49 86.06 Favored Pre-proline 0 CA--C 1.533 0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.976 -178.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -60.84 -21.74 71.5 Favored 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 122.781 2.32 . . . . 0.0 112.42 -179.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.421 HD23 ' O ' ' A' ' 126' ' ' LEU . 2.0 tt -56.29 -27.74 56.4 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 121.204 0.526 . . . . 0.0 109.692 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.487 ' O ' HD23 ' A' ' 131' ' ' LEU . 72.5 t80 -51.84 -34.83 42.33 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.556 177.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.401 ' CZ ' HD22 ' A' ' 132' ' ' LEU . 7.9 tpt180 -60.57 -52.77 63.76 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.551 175.525 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -59.38 -29.75 67.93 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.049 -179.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 80.9 m -77.74 -27.3 50.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.293 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.489 ' HB3' HD12 ' A' ' 132' ' ' LEU . 3.5 mm? -85.52 -51.49 6.47 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.826 -176.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.489 HD12 ' HB3' ' A' ' 131' ' ' LEU . 6.4 mp -106.03 94.14 5.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.244 0.545 . . . . 0.0 111.008 -178.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -143.73 18.18 1.82 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.745 175.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -136.31 114.81 11.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.345 -0.843 . . . . 0.0 108.788 -175.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 71.63 -67.74 0.25 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 123.423 0.689 . . . . 0.0 111.795 -179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 . . . . . 0 N--CA 1.472 0.662 0 C-N-CA 123.719 0.808 . . . . 0.0 111.547 -176.154 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.722 0.296 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 55.1 ttm -158.43 97.13 1.46 Allowed 'General case' 0 C--N 1.332 -0.156 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 176.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.1 t -154.2 21.2 0.5 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.442 0.639 . . . . 0.0 109.787 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.672 ' HG2' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -131.19 -167.91 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.268 -172.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -74.78 -0.59 18.78 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.258 -177.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.672 ' H ' ' HG2' ' A' ' 4' ' ' GLU . 44.8 mt-30 60.65 84.38 0.2 Allowed Pre-proline 0 CA--C 1.532 0.286 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -176.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -84.0 -166.63 0.38 Allowed 'Trans proline' 0 C--N 1.346 0.413 0 C-N-CA 122.914 2.409 . . . . 0.0 112.651 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.2 m -57.05 -12.92 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 CA-C-N 115.863 -0.608 . . . . 0.0 112.114 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.07 -13.57 7.28 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.292 177.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 55.2 p -56.6 -33.27 66.08 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.295 178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.563 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -60.82 -40.0 91.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 121.012 0.434 . . . . 0.0 110.521 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.88 -2.22 6.97 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.762 -176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 87.9 mt -92.26 -33.22 14.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.786 177.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.1 m -156.91 138.99 14.5 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 120.744 0.307 . . . . 0.0 111.048 -178.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -64.09 -41.13 97.41 Favored 'General case' 0 C--O 1.225 -0.216 0 CA-C-N 116.096 -0.502 . . . . 0.0 109.743 178.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.7 tm-20 -50.18 -47.33 54.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.59 174.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.404 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 7.4 tpm_? -57.65 -45.31 85.66 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.689 -179.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.563 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 38.5 tp -66.57 -44.57 81.91 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.58 0.705 . . . . 0.0 110.882 177.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.539 HD12 HD21 ' A' ' 25' ' ' LEU . 21.0 tp -77.9 -14.86 59.41 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.858 -1.065 . . . . 0.0 111.114 -169.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.9 tp-100 -105.62 -1.3 24.81 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.359 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 13.8 t70 -94.46 126.95 46.01 Favored Pre-proline 0 C--N 1.33 -0.255 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.031 -178.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.95 -41.9 57.4 Favored 'Trans proline' 0 C--N 1.348 0.52 0 C-N-CA 122.598 2.199 . . . . 0.0 112.452 -178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 tt -72.84 -41.89 64.34 Favored 'General case' 0 C--O 1.238 0.47 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 -177.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' HA3' HD12 ' A' ' 18' ' ' LEU . . . -59.28 -61.04 7.75 Favored Glycine 0 N--CA 1.45 -0.427 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.604 176.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.539 HD21 HD12 ' A' ' 19' ' ' LEU . 8.4 mt -50.47 -36.69 34.71 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 122.389 0.275 . . . . 0.0 111.714 176.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -54.83 -64.79 0.72 Allowed 'General case' 0 C--O 1.236 0.372 0 CA-C-O 120.78 0.324 . . . . 0.0 111.02 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' O ' ' HB2' ' A' ' 30' ' ' GLU . 42.4 m-85 -71.6 -33.2 68.81 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.243 -177.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 25.3 t80 -62.3 -42.13 99.11 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.34 179.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.479 HG22 ' O ' ' A' ' 26' ' ' ALA . 2.6 t -77.91 -17.37 57.36 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.334 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.57 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 12.8 mm-40 -63.47 -67.69 0.41 Allowed 'General case' 0 C--O 1.234 0.273 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.132 175.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.443 ' CE2' ' HD1' ' A' ' 121' ' ' PHE . 24.8 p90 -82.48 -0.91 48.59 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.636 -172.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 54.0 tp -94.07 -17.37 22.91 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.203 0.525 . . . . 0.0 110.403 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -107.61 12.5 27.57 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-O 121.246 0.546 . . . . 0.0 109.734 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 5.6 tmmt? -77.65 -40.57 41.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.451 0.643 . . . . 0.0 109.509 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -103.83 7.76 37.02 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.196 -0.911 . . . . 0.0 109.848 175.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 47.6 t80 66.32 76.98 0.3 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.716 176.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.9 m -147.82 12.96 1.01 Allowed 'General case' 0 CA--C 1.535 0.391 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.584 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.419 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -92.14 -2.08 56.79 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-O 120.953 0.406 . . . . 0.0 111.229 -176.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 39' ' ' GLU . 3.1 mp0 -57.39 -30.68 65.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.819 -175.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.432 ' HB2' HG23 ' A' ' 109' ' ' ILE . 8.8 p30 -68.98 -46.49 67.94 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.92 -178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.62 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.18 -33.1 45.53 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.243 0 N-CA-C 110.084 -0.339 . . . . 0.0 110.084 179.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 62.4 m -63.47 -39.06 93.47 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 121.027 0.442 . . . . 0.0 110.196 175.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.509 ' HE2' ' HA ' ' A' ' 106' ' ' GLN . 50.0 t80 -56.89 -48.0 79.19 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.624 171.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -64.11 -38.05 89.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.576 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.62 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 91.5 mttt -57.91 -52.27 66.2 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.334 0.588 . . . . 0.0 109.738 177.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.83 -41.49 97.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.129 -0.942 . . . . 0.0 110.855 -178.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.407 ' O ' ' HB3' ' A' ' 50' ' ' PHE . 74.9 m -69.63 -31.08 68.97 Favored 'General case' 0 CA--C 1.532 0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.037 -179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 51' ' ' GLN . 7.8 tm-20 -70.34 -47.35 61.44 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 176.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.409 ' O ' HG13 ' A' ' 53' ' ' ILE . 0.7 OUTLIER -63.89 -20.36 65.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.43 176.051 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.557 ' HZ ' ' SD ' ' A' ' 101' ' ' MET . 76.6 t80 -75.79 -50.63 14.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.489 175.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.428 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 21.0 pt20 -73.54 -10.89 60.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-O 121.004 0.43 . . . . 0.0 110.67 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -79.79 -9.85 59.71 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.038 176.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.612 HD13 ' HB3' ' A' ' 60' ' ' GLN . 70.3 mt -87.75 137.72 31.75 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.199 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -55.29 133.55 58.75 Favored 'Trans proline' 0 C--N 1.353 0.81 0 C-N-CA 122.421 2.081 . . . . 0.0 111.924 176.369 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.497 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -57.14 -35.25 69.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.532 -177.195 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.2 t -84.03 1.26 44.69 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.537 -175.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -71.63 -59.33 2.81 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 28.2 m 77.01 -35.19 0.22 Allowed 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.617 0.767 . . . . 0.0 112.231 173.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -72.22 -64.04 1.02 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.369 0.604 . . . . 0.0 109.934 -175.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.612 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -53.63 -41.82 67.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.965 -1.016 . . . . 0.0 110.386 176.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.2 mt -54.92 -50.31 69.12 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.002 179.095 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -61.13 -44.8 96.78 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.311 -177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -65.6 -49.63 68.05 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.804 -177.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.519 ' HG3' HD11 ' A' ' 53' ' ' ILE . 10.8 mm-40 -59.85 -50.57 73.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.638 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.523 ' HB1' ' HE1' ' A' ' 101' ' ' MET . . . -56.82 -43.99 81.57 Favored 'General case' 0 C--O 1.233 0.21 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.033 -175.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.9 ttm-85 -66.98 -39.95 87.31 Favored 'General case' 0 C--N 1.332 -0.155 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.768 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -63.87 -46.88 82.94 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.667 0.27 . . . . 0.0 110.283 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 64' ' ' GLU . 81.0 mt -54.23 -44.02 63.24 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-O 121.397 0.618 . . . . 0.0 109.626 175.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.489 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 89.9 t80 -59.53 -58.54 8.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.177 -0.919 . . . . 0.0 110.5 177.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -76.98 6.18 6.73 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -170.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.408 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 31.0 tt0 -129.75 -16.35 3.78 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 120.667 -0.413 . . . . 0.0 111.989 -178.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -134.49 -12.72 2.36 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.655 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 43.5 mt -129.6 -26.66 2.46 Favored 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 113.263 0.838 . . . . 0.0 113.263 -167.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 76' ' ' GLN . 24.7 t -76.63 77.21 3.29 Favored 'General case' 0 C--N 1.33 -0.269 0 O-C-N 122.487 -0.133 . . . . 0.0 111.308 -173.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.8 p 45.26 -78.76 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.884 0.874 . . . . 0.0 112.446 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 74' ' ' SER . 21.8 mp0 -76.96 -68.55 0.6 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 174.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.46 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . 60.33 8.76 1.7 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.317 174.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.46 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.2 mp 73.46 -38.93 0.42 Allowed 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.957 0.903 . . . . 0.0 111.065 -176.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.477 ' HB3' ' HG2' ' A' ' 39' ' ' GLU . 19.8 m -152.85 83.15 4.82 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 -177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 95.1 Cg_endo -80.28 131.32 8.6 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.468 2.112 . . . . 0.0 112.438 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.544 ' HB ' HD11 ' A' ' 109' ' ' ILE . 15.4 m -67.05 -15.74 20.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.19 177.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 59.16 35.32 23.61 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.151 174.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 7.4 pt -63.98 -171.34 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.291 170.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -46.4 -60.94 2.03 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.797 -0.183 . . . . 0.0 111.096 -178.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.593 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.3 mtm180 69.33 -49.56 0.6 Allowed 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.367 0.667 . . . . 0.0 111.639 -177.171 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -56.67 -30.3 63.23 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 111.279 176.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -110.2 24.68 12.68 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.994 0.426 . . . . 0.0 110.659 179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.655 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 4.4 t90 -90.97 -178.72 5.28 Favored 'General case' 0 CA--C 1.532 0.287 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.292 -176.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.551 HD22 ' H ' ' A' ' 89' ' ' LEU . 2.1 mm? -70.58 -78.03 0.08 Allowed 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 121.1 0.476 . . . . 0.0 110.411 -177.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.546 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.96 -175.58 17.2 Favored Glycine 0 C--N 1.332 0.361 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -179.686 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -52.55 -30.09 28.86 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 122.749 0.42 . . . . 0.0 111.698 -179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -67.02 -21.72 65.92 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.384 -173.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.642 HG22 ' HE2' ' A' ' 101' ' ' MET . 4.6 p -76.21 -22.11 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.976 0.417 . . . . 0.0 110.682 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -77.02 -19.56 57.08 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.251 0.548 . . . . 0.0 109.94 176.182 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.14 -31.81 71.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.281 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -144.57 107.43 4.73 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.798 178.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.716 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 73.2 Cg_endo -75.84 152.17 36.63 Favored 'Trans proline' 0 C--N 1.347 0.492 0 C-N-CA 122.154 1.903 . . . . 0.0 111.733 177.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.502 ' O ' ' HG3' ' A' ' 101' ' ' MET . 12.7 ptm180 -167.76 150.44 5.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -176.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.497 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 52.2 Cg_endo -65.61 -3.79 8.52 Favored 'Trans proline' 0 N--CA 1.476 0.484 0 C-N-CA 122.549 2.166 . . . . 0.0 112.957 -173.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -120.36 23.94 10.63 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.173 -177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.716 ' SD ' ' HA ' ' A' ' 97' ' ' PRO . 93.2 mtp -63.24 -72.98 0.12 Allowed 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.924 0.392 . . . . 0.0 112.026 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 -98.51 0.67 45.53 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 112.354 0.502 . . . . 0.0 112.354 -169.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.569 ' HD3' ' N ' ' A' ' 104' ' ' ALA . 0.1 OUTLIER -47.26 -29.25 2.31 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.156 0.798 . . . . 0.0 113.156 -172.813 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.569 ' N ' ' HD3' ' A' ' 103' ' ' ARG . . . -63.96 -71.86 0.16 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.909 0.385 . . . . 0.0 111.543 -177.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 -75.97 -11.67 60.0 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.07 0.462 . . . . 0.0 111.155 -176.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.509 ' HA ' ' HE2' ' A' ' 43' ' ' PHE . 46.3 tt0 -60.1 -47.87 84.07 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.483 169.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.39 -23.86 65.62 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.455 179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -63.27 -43.11 98.9 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 109.919 -0.4 . . . . 0.0 109.919 177.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.544 HD11 ' HB ' ' A' ' 81' ' ' VAL . 22.1 mm -60.37 -45.53 96.42 Favored 'Isoleucine or valine' 0 C--O 1.239 0.54 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.273 174.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' CE1' ' HD2' ' A' ' 114' ' ' LYS . 61.5 t80 -54.36 -52.0 62.99 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.218 177.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -68.55 -19.14 64.47 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.419 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.7 tt -65.91 -60.14 3.15 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.631 ' HB3' ' HB3' ' A' ' 117' ' ' SER . 25.5 mmt -81.11 -15.47 55.83 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.356 -176.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.444 ' HD2' ' CE1' ' A' ' 110' ' ' PHE . 61.4 tttm -57.61 -23.41 50.82 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.34 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -119.16 22.05 12.02 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.478 -178.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -153.91 -82.09 0.08 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.575 -0.45 . . . . 0.0 111.834 -177.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 113' ' ' MET . 21.0 t -58.75 -38.65 78.9 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.859 0.361 . . . . 0.0 110.313 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -54.07 -48.95 70.09 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.218 171.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.459 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -66.24 -25.18 66.77 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.41 ' HA ' ' NZ ' ' A' ' 123' ' ' LYS . 47.5 ttt85 -72.38 -44.52 62.4 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.999 177.447 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . 0.443 ' HD1' ' CE2' ' A' ' 31' ' ' PHE . 78.8 t80 -63.71 -45.76 88.51 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.095 -177.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.41 HG12 ' HE2' ' A' ' 127' ' ' TYR . 20.0 m -72.31 5.47 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.875 -175.48 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 30.4 mtmm -117.03 -31.11 5.48 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.923 0.392 . . . . 0.0 110.535 175.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.9 p -68.65 162.51 62.49 Favored Pre-proline 0 C--O 1.236 0.38 0 CA-C-N 115.773 -0.649 . . . . 0.0 111.754 -176.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.443 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 51.1 Cg_exo -57.24 -169.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.357 0.997 0 C-N-CA 122.728 2.286 . . . . 0.0 111.888 172.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.5 mt 70.51 -60.86 0.48 Allowed 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 122.718 0.407 . . . . 0.0 110.479 -174.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.41 ' HE2' HG12 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -61.7 -65.0 0.76 Allowed 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.109 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.575 ' HB2' ' HB2' ' A' ' 136' ' ' GLU . 22.4 ptt180 -60.34 -23.81 64.55 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.388 178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -69.87 -30.34 67.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.055 178.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 76.4 m -73.35 -28.35 62.01 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.009 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.448 ' C ' HD12 ' A' ' 132' ' ' LEU . 10.0 mp -73.75 -79.62 0.08 Allowed 'General case' 0 C--O 1.236 0.367 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 173.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.448 HD12 ' C ' ' A' ' 131' ' ' LEU . 7.7 mp -127.59 -68.09 0.8 Allowed 'General case' 0 C--O 1.235 0.321 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 173.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 177.35 -149.58 0.01 OUTLIER 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.001 -0.74 . . . . 0.0 109.001 -176.525 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -65.04 -5.15 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.023 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -54.06 -36.88 63.58 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 120.924 0.392 . . . . 0.0 110.552 175.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.575 ' HB2' ' HB2' ' A' ' 128' ' ' ARG . 3.1 mp0 . . . . . 0 C--O 1.235 0.317 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.901 174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.6 m . . . . . 0 N--CA 1.478 0.937 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.419 ' HG2' ' H ' ' A' ' 3' ' ' THR . 40.8 ttm 61.98 175.81 0.13 Allowed 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -174.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.419 ' H ' ' HG2' ' A' ' 2' ' ' MET . 15.2 t 45.18 42.55 7.02 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.663 0.744 . . . . 0.0 110.816 -178.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 65.25 -111.76 0.24 Allowed 'General case' 0 C--O 1.236 0.386 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.519 -174.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.4 mm-40 52.98 -162.48 0.1 Allowed 'General case' 0 CA--C 1.533 0.314 0 C-N-CA 122.048 0.139 . . . . 0.0 111.207 -177.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 69.3 154.88 0.15 Allowed Pre-proline 0 CA--C 1.535 0.366 0 C-N-CA 122.754 0.422 . . . . 0.0 110.695 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.417 ' HB2' ' H ' ' A' ' 8' ' ' VAL . 67.3 Cg_endo -73.68 -145.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.349 0.585 0 C-N-CA 122.309 2.006 . . . . 0.0 110.26 170.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.417 ' H ' ' HB2' ' A' ' 7' ' ' PRO . 29.2 m -57.62 -12.36 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 CA-C-O 121.117 0.484 . . . . 0.0 111.426 175.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -69.76 -7.07 36.45 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.087 176.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.2 p -66.01 -25.01 66.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.765 -179.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 18.0 m0 -57.84 -41.24 81.93 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.985 0.421 . . . . 0.0 110.478 -179.49 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -64.6 -10.95 29.99 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.041 -174.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 89.6 mt -68.3 -43.01 78.6 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.783 0.325 . . . . 0.0 110.169 178.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 75.1 m -163.32 144.47 9.39 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.623 -178.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.4 t80 -56.54 -38.78 72.36 Favored 'General case' 0 C--O 1.224 -0.247 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.015 177.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -47.78 -44.22 28.25 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.159 173.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -50.29 59.9 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.329 -177.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.579 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.1 tp -59.62 -47.19 86.57 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.965 178.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.424 HD12 ' HG ' ' A' ' 25' ' ' LEU . 29.3 tp -71.87 -27.55 62.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.345 -171.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -93.43 7.76 43.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.247 0.546 . . . . 0.0 110.104 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -107.75 127.52 27.58 Favored Pre-proline 0 C--N 1.332 -0.178 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.942 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.12 -43.97 32.3 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.485 2.123 . . . . 0.0 112.537 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 4.2 tt -72.44 -41.45 66.12 Favored 'General case' 0 C--O 1.236 0.395 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 -177.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -54.66 35.47 Favored Glycine 0 N--CA 1.448 -0.514 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.318 178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -58.44 -31.16 67.5 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 120.743 0.306 . . . . 0.0 110.496 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' O ' HG22 ' A' ' 29' ' ' THR . . . -58.88 -60.68 3.46 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 120.924 0.393 . . . . 0.0 110.929 179.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 39.3 m-85 -67.09 -29.18 68.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.668 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -63.07 -43.66 97.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.702 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.568 HG22 ' O ' ' A' ' 26' ' ' ALA . 12.2 t -71.46 -29.49 64.92 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 121.089 -0.245 . . . . 0.0 110.383 -178.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -59.25 -42.77 91.92 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 121.155 0.502 . . . . 0.0 110.262 174.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' ARG . 29.2 t80 -80.43 -31.09 37.6 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.134 179.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.54 ' HB3' ' HA ' ' A' ' 29' ' ' THR . 20.1 tp -63.7 -26.92 68.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.771 -179.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.557 ' HA ' ' HA ' ' A' ' 37' ' ' SER . 73.3 tttt -77.75 -4.54 46.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.06 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -88.09 -36.23 17.04 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.252 177.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.75 -39.19 18.75 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.351 178.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -146.19 -80.51 0.16 Allowed 'General case' 0 C--O 1.234 0.272 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.557 ' HA ' ' HA ' ' A' ' 33' ' ' LYS . 53.9 m -165.67 -70.87 0.03 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 120.963 0.411 . . . . 0.0 111.668 -178.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.482 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . 170.48 -27.33 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.934 -168.579 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -49.37 -26.89 3.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 115.341 -0.845 . . . . 0.0 112.153 -174.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.427 ' ND2' HD11 ' A' ' 32' ' ' LEU . 46.5 m-20 -56.56 -57.82 10.71 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 121.023 0.44 . . . . 0.0 109.969 177.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.505 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.1 m -72.47 -29.5 31.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.521 -179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 21.0 m -62.86 -37.38 86.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.588 178.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.6 t80 -66.83 -42.15 86.26 Favored 'General case' 0 C--O 1.23 0.064 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 55.9 t90 -61.48 -33.82 74.42 Favored 'General case' 0 CA--C 1.534 0.327 0 CA-C-N 115.655 -0.702 . . . . 0.0 109.727 176.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 98.7 mttt -67.25 -32.35 73.31 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.582 176.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -56.98 -29.71 63.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.008 0.432 . . . . 0.0 110.134 177.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.09 -51.27 26.15 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.783 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.588 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.9 pp20? -66.69 -36.2 81.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.941 -176.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -64.68 -37.96 89.37 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.249 0.547 . . . . 0.0 110.226 177.14 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -70.14 -45.18 67.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.916 -176.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -74.81 -4.32 37.0 Favored 'General case' 0 N--CA 1.466 0.348 0 N-CA-C 111.719 0.266 . . . . 0.0 111.719 -176.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.588 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 15.9 mm100 -69.38 -21.13 63.82 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.161 0.505 . . . . 0.0 109.841 171.63 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.408 HG23 ' NE2' ' A' ' 60' ' ' GLN . 74.0 mt -80.0 137.77 53.48 Favored Pre-proline 0 CA--C 1.533 0.323 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.659 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -53.31 127.71 26.29 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 122.314 2.009 . . . . 0.0 111.247 172.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.24 -15.18 45.38 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 112.577 0.584 . . . . 0.0 112.577 -172.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.3 t -95.16 -11.91 27.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.82 -0.173 . . . . 0.0 111.188 -178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -84.24 81.54 8.77 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-O 121.11 0.481 . . . . 0.0 109.909 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.1 m -53.61 -44.49 69.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.572 -177.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -62.05 -48.59 79.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.066 -175.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.452 ' HA ' HE21 ' A' ' 63' ' ' GLN . 8.3 tt0 -66.6 -43.17 85.57 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.786 0.327 . . . . 0.0 110.476 -177.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.407 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 96.1 mt -58.22 -47.18 84.29 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.49 -36.28 82.0 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.478 -177.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.452 HE21 ' HA ' ' A' ' 60' ' ' GLN . 48.3 mt-30 -62.78 -51.43 67.15 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.008 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -68.54 -31.4 70.61 Favored 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 121.164 -0.214 . . . . 0.0 110.884 177.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.4 -41.71 90.07 Favored 'General case' 0 C--O 1.232 0.134 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 175.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 57.7 ttp85 -65.3 -44.41 88.03 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.524 176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -54.9 -62.48 1.63 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.144 178.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 58.4 mt -56.71 -38.34 57.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.514 -177.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -54.27 -59.58 4.48 Favored 'General case' 0 C--O 1.227 -0.12 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.158 177.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' HA ' ' OG ' ' A' ' 74' ' ' SER . 25.2 mt-30 -83.7 8.29 14.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.805 -173.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.546 ' HA ' HD23 ' A' ' 78' ' ' LEU . 31.3 tt0 -112.91 -47.22 3.06 Favored 'General case' 0 C--O 1.234 0.255 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -176.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.511 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 94.0 m-85 -118.26 -12.07 9.99 Favored 'General case' 0 N--CA 1.469 0.505 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.311 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.577 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 27.5 mt -118.08 -31.07 5.15 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 113.382 0.882 . . . . 0.0 113.382 -164.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.46 ' OG ' ' HA ' ' A' ' 70' ' ' GLN . 60.3 p -72.21 84.27 1.04 Allowed 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 121.204 -0.199 . . . . 0.0 111.462 -172.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.8 p 43.95 -86.89 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.817 0.847 . . . . 0.0 112.475 176.088 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.0 mt-30 -110.24 50.27 0.81 Allowed 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.356 0.598 . . . . 0.0 109.546 -177.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.21 -168.99 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.07 -0.968 . . . . 0.0 112.002 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.546 HD23 ' HA ' ' A' ' 71' ' ' GLU . 3.6 mm? -58.87 -50.19 74.92 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.57 -179.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 p -143.32 79.39 14.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-O 121.331 0.586 . . . . 0.0 110.591 176.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.511 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 69.4 Cg_endo -74.89 95.98 0.99 Allowed 'Trans proline' 0 C--N 1.349 0.556 0 C-N-CA 122.504 2.136 . . . . 0.0 111.909 -179.693 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 28.0 m -62.7 162.5 1.74 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.339 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.343 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -74.17 79.29 1.77 Allowed 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.191 0.519 . . . . 0.0 111.477 -175.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.4 HD12 ' HB3' ' A' ' 105' ' ' GLN . 13.7 pt -139.68 163.17 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 173.107 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.407 ' CG ' ' N ' ' A' ' 85' ' ' ARG . 8.4 p-10 -62.83 -64.19 0.99 Allowed 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 -165.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.456 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 3.1 mpp_? 57.08 23.86 8.97 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 122.679 0.392 . . . . 0.0 110.861 -169.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -112.18 -53.0 2.75 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.121 0.486 . . . . 0.0 109.988 -178.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -92.45 17.8 9.43 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.726 0.774 . . . . 0.0 109.148 175.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.577 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 2.7 t90 -70.01 177.98 2.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 114.145 -1.389 . . . . 0.0 111.896 -172.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.585 ' N ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -128.13 29.3 5.4 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.988 -178.235 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.566 ' O ' HG12 ' A' ' 93' ' ' VAL . . . -58.92 -35.71 84.39 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.237 -0.506 . . . . 0.0 113.218 -176.202 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -58.08 -23.85 56.25 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 -175.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.555 ' HG2' ' O ' ' A' ' 89' ' ' LEU . 9.5 pt-20 -94.54 -28.78 15.24 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 121.146 -0.222 . . . . 0.0 111.276 179.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.566 HG12 ' O ' ' A' ' 90' ' ' GLY . 6.0 p -68.76 -25.28 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.333 -173.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.441 HD22 HG13 ' A' ' 93' ' ' VAL . 3.9 mm? -74.59 -27.39 60.46 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.968 0.413 . . . . 0.0 110.387 175.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.94 -66.43 0.93 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.533 -178.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 33.0 mm-40 -113.09 90.84 16.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.119 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 93.0 Cg_endo -80.95 165.2 19.73 Favored 'Trans proline' 0 CA--C 1.533 0.434 0 C-N-CA 122.591 2.194 . . . . 0.0 112.368 179.097 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' MET . 26.5 ptt-85 -157.98 154.21 23.92 Favored Pre-proline 0 C--N 1.331 -0.232 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -75.96 50.61 2.85 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.855 2.37 . . . . 0.0 112.276 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.514 ' C ' ' SD ' ' A' ' 101' ' ' MET . 13.7 t70 -157.42 -60.37 0.09 Allowed 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.083 -0.71 . . . . 0.0 109.083 -175.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.545 ' HG2' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 28.12 -71.03 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.795 1.638 . . . . 0.0 115.235 172.101 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.545 ' N ' ' HG2' ' A' ' 101' ' ' MET . 5.5 m-85 -104.43 22.69 14.47 Favored 'General case' 0 N--CA 1.468 0.467 0 O-C-N 122.06 -0.4 . . . . 0.0 110.877 -170.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -44.53 -51.27 9.04 Favored 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.581 0.551 . . . . 0.0 111.763 -175.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.22 -42.49 95.29 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.447 -177.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.4 ' HB3' HD12 ' A' ' 83' ' ' ILE . 89.1 mt-30 -72.78 -35.37 67.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.977 -177.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 84.8 mm-40 -61.03 -48.15 83.13 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.259 0.552 . . . . 0.0 110.033 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -72.17 -17.96 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.891 178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.479 ' O ' ' HG ' ' A' ' 112' ' ' LEU . 55.9 tp60 -63.64 -48.11 78.58 Favored 'General case' 0 C--N 1.334 -0.076 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 176.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.455 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.8 mp -67.07 -50.52 63.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.288 175.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HA ' ' HE2' ' A' ' 113' ' ' MET . 62.0 t80 -50.33 -48.97 55.14 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.925 -177.302 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 85.2 m-20 -69.25 -39.5 78.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.509 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 80.3 mt -61.44 -49.3 77.4 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.772 0.32 . . . . 0.0 111.109 -179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.51 ' HE2' ' HA ' ' A' ' 110' ' ' PHE . 26.3 ptt? -79.35 -7.87 58.66 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-O 120.866 0.365 . . . . 0.0 111.043 -178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.434 ' O ' ' HB3' ' A' ' 118' ' ' TYR . 64.4 tttm -68.58 -48.08 65.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.064 179.71 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 31.2 p90 -94.9 12.27 28.8 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -140.21 -74.55 0.35 Allowed 'General case' 0 N--CA 1.464 0.263 0 C-N-CA 120.799 -0.361 . . . . 0.0 110.758 -178.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -51.52 -49.64 61.54 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.106 0.479 . . . . 0.0 110.442 -179.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.434 ' HB3' ' O ' ' A' ' 114' ' ' LYS . 46.2 t80 -64.38 -49.22 72.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.817 175.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.09 -30.8 70.56 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.878 -0.601 . . . . 0.0 112.09 -174.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.425 ' HG3' ' CE1' ' A' ' 31' ' ' PHE . 12.6 ptm180 -89.86 -26.77 20.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-N 116.561 -0.29 . . . . 0.0 110.742 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 80.5 t80 -65.41 -57.17 8.97 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.539 178.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 32.6 m -64.57 -22.8 32.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.674 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -70.13 -40.74 74.64 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.162 -178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 75.7 p -72.02 150.73 92.63 Favored Pre-proline 0 CA--C 1.535 0.397 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.066 -177.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -61.83 -13.45 30.76 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 122.807 2.338 . . . . 0.0 112.361 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 7.7 tt -51.65 -37.69 51.54 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.848 177.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.434 ' CE2' ' HE3' ' A' ' 11' ' ' TRP . 27.4 t80 -58.68 -55.19 38.27 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.798 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -58.93 -34.03 71.28 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.657 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -63.91 -25.88 68.35 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.239 178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 66.3 m -80.72 -27.05 37.05 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.488 175.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.2 mp -67.83 -28.66 67.75 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.637 175.697 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 93.7 mt 59.69 -85.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.312 178.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -167.97 100.29 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 67.22 15.23 9.97 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . 74.38 -48.63 0.66 Allowed 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.697 0.799 . . . . 0.0 112.342 177.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 . . . . . 0 C--O 1.236 0.368 0 CA-C-O 121.16 0.505 . . . . 0.0 111.481 -179.248 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.9 t . . . . . 0 N--CA 1.48 1.051 0 CA-C-O 120.623 0.249 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.6 ptm -137.81 11.95 2.91 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.471 178.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 p -97.96 172.97 7.3 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.648 -177.254 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.59 171.73 19.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.651 176.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -93.88 130.7 39.84 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-O 120.994 0.426 . . . . 0.0 111.069 -177.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.48 137.48 14.59 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.965 -179.406 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -78.89 165.09 24.72 Favored 'Trans proline' 0 C--N 1.348 0.519 0 C-N-CA 122.335 2.023 . . . . 0.0 111.645 176.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.6 m -62.04 -15.27 13.69 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.424 0 CA-C-O 120.849 0.357 . . . . 0.0 111.714 -179.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.84 -6.76 56.87 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.329 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.0 m -70.61 -19.7 62.82 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.017 -178.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 30.0 m0 -62.3 -44.42 96.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 -175.087 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.409 ' HB2' ' CE2' ' A' ' 127' ' ' TYR . . . -72.22 -12.84 61.35 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 111.903 0.335 . . . . 0.0 111.903 -177.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.0 mt -70.13 -48.28 58.17 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 70.8 m -157.9 144.22 17.55 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.443 178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.423 ' CE2' HD22 ' A' ' 19' ' ' LEU . 23.0 t80 -59.99 -33.08 71.49 Favored 'General case' 0 C--O 1.226 -0.178 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.68 -44.16 47.69 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.461 174.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 17' ' ' ARG . 21.8 mmt180 -65.65 -55.16 18.98 Favored 'General case' 0 C--O 1.225 -0.207 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.953 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 10.1 tt -57.97 -33.11 68.51 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.216 0.531 . . . . 0.0 110.541 -179.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.596 HD12 HD21 ' A' ' 25' ' ' LEU . 24.2 tp -84.4 -12.79 53.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.764 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.43 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 21.5 mm-40 -109.63 1.55 19.67 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 174.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -102.92 122.83 44.27 Favored Pre-proline 0 C--O 1.235 0.298 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -65.96 -31.61 46.51 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.521 2.147 . . . . 0.0 112.339 -177.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.5 tt -77.91 -39.16 43.83 Favored 'General case' 0 C--O 1.239 0.526 0 N-CA-C 108.774 -0.825 . . . . 0.0 108.774 -178.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.09 -58.57 12.95 Favored Glycine 0 N--CA 1.449 -0.464 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.663 176.156 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.596 HD21 HD12 ' A' ' 19' ' ' LEU . 49.1 mt -56.67 -27.43 58.69 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 111.791 0.293 . . . . 0.0 111.791 176.493 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.75 -56.8 17.52 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.87 0.367 . . . . 0.0 110.754 178.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -75.63 -30.33 59.47 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.951 0.405 . . . . 0.0 110.698 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.45 ' HB3' ' HA ' ' A' ' 25' ' ' LEU . 65.4 t80 -61.47 -47.24 86.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.103 179.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.4 t -73.43 -26.57 61.0 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.091 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -54.36 -42.29 70.12 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.492 0.663 . . . . 0.0 109.34 177.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -77.31 -45.11 27.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.774 174.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 17.8 tp -74.66 6.8 3.52 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.265 -171.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.75 -0.36 20.03 Favored 'General case' 0 N--CA 1.466 0.373 0 O-C-N 122.083 -0.386 . . . . 0.0 110.786 175.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -82.87 -20.64 35.13 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.312 -176.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.403 ' HG2' ' OG ' ' A' ' 37' ' ' SER . 0.0 OUTLIER -126.53 2.82 6.89 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 109.855 -0.424 . . . . 0.0 109.855 174.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 40.1 t80 73.32 23.41 2.57 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.942 171.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.403 ' OG ' ' HG2' ' A' ' 35' ' ' GLU . 67.7 m -80.53 6.11 13.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.162 0.506 . . . . 0.0 110.617 178.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -61.06 -11.53 8.81 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.018 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -44.95 -44.63 9.96 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.073 0.463 . . . . 0.0 110.912 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -60.75 -58.0 10.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.339 -175.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.566 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 35.0 m -66.76 -35.34 74.53 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-N 116.748 -0.206 . . . . 0.0 111.06 -177.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.5 m -64.08 -40.51 96.41 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.934 0.397 . . . . 0.0 110.383 178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.3 t80 -63.3 -43.3 98.24 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.197 0.522 . . . . 0.0 109.905 174.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.43 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 58.4 t90 -64.92 -34.21 77.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.328 -179.14 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.566 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.0 mttt -60.57 -45.57 93.44 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.272 0.558 . . . . 0.0 109.919 175.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.445 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -56.29 -29.09 60.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.363 178.309 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.9 m -75.63 -46.71 30.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.039 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.536 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 3.0 pp20? -74.37 -13.21 60.7 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-O 120.952 0.406 . . . . 0.0 110.603 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -80.93 -32.91 34.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.238 0.542 . . . . 0.0 109.607 169.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -75.82 -29.31 58.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.774 -175.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.536 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 30.1 pt20 -62.23 -17.34 58.04 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 120.789 0.328 . . . . 0.0 111.14 -179.512 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -68.61 -26.9 65.59 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.243 0.544 . . . . 0.0 110.064 177.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.581 HD13 ' HB3' ' A' ' 60' ' ' GLN . 59.6 mt -78.66 127.87 79.02 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.735 179.332 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.498 ' HG2' ' HB2' ' A' ' 57' ' ' ASP . 72.1 Cg_endo -76.16 155.51 37.67 Favored 'Trans proline' 0 C--N 1.347 0.45 0 C-N-CA 122.142 1.895 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.25 148.19 32.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.076 175.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t 74.51 -4.22 2.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.075 0.55 . . . . 0.0 112.153 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.498 ' HB2' ' HG2' ' A' ' 54' ' ' PRO . 55.5 t0 -76.74 66.58 2.69 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 172.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.9 m -49.44 -43.16 44.63 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.02 -0.991 . . . . 0.0 112.963 -169.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -59.89 -52.91 63.39 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 121.284 -0.166 . . . . 0.0 111.263 -175.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.581 ' HB3' HD13 ' A' ' 53' ' ' ILE . 2.8 mp0 -68.23 -45.4 73.38 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 110.541 179.014 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.688 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.0 mt -53.55 -45.9 70.02 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.135 -178.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.78 -47.37 47.22 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.658 -175.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.407 ' OE1' ' HA ' ' A' ' 63' ' ' GLN . 13.9 mm-40 -66.87 -51.94 49.43 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.005 -175.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.432 ' O ' HG13 ' A' ' 68' ' ' ILE . 0.6 OUTLIER -62.56 -41.13 98.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.44 -178.556 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.42 -34.58 75.62 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.225 0.536 . . . . 0.0 110.072 176.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.8 ttm180 -70.76 -39.69 73.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.263 179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -62.11 -48.86 78.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.864 177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.445 HG12 ' HB1' ' A' ' 46' ' ' ALA . 72.9 mt -59.89 -40.72 83.62 Favored 'Isoleucine or valine' 0 C--O 1.232 0.137 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.046 177.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.44 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.4 t80 -57.53 -55.8 30.18 Favored 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.441 178.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.53 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 28.6 mt-30 -70.35 -7.93 46.57 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -174.851 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 67.6 mm-40 -102.46 -42.84 5.83 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 178.726 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.596 ' HA ' ' O ' ' A' ' 79' ' ' SER . 63.5 m-85 -122.78 -11.14 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -169.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.524 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.3 mt -136.81 14.07 3.13 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -172.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.53 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 25.8 t -100.7 150.25 22.95 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 p -63.38 -31.62 72.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.935 0.398 . . . . 0.0 111.156 -177.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.95 17.42 24.17 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.133 -178.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.475 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -67.06 164.16 18.46 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.991 -175.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.447 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.2 mp -75.37 -32.36 60.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.514 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.596 ' O ' ' HA ' ' A' ' 72' ' ' PHE . 16.1 p -147.75 77.5 10.28 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 115.906 -0.588 . . . . 0.0 109.913 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -76.98 27.46 0.43 Allowed 'Trans proline' 0 CA--C 1.535 0.546 0 C-N-CA 123.139 2.559 . . . . 0.0 113.879 -171.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.576 HG22 ' O ' ' A' ' 72' ' ' PHE . 30.4 m 35.53 -145.42 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 C-N-CA 123.762 0.825 . . . . 0.0 112.266 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.42 ' O ' ' N ' ' A' ' 84' ' ' ASP . 47.9 m-80 -139.7 -85.37 0.23 Allowed 'General case' 0 N--CA 1.468 0.431 0 O-C-N 122.043 -0.411 . . . . 0.0 111.58 -179.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.811 HG12 ' H ' ' A' ' 84' ' ' ASP . 0.1 OUTLIER 37.25 -80.01 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 124.422 1.089 . . . . 0.0 113.445 -172.125 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.811 ' H ' HG12 ' A' ' 83' ' ' ILE . 5.4 p-10 -160.6 -56.9 0.05 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 118.133 0.424 . . . . 0.0 110.888 -176.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.7 mtm-85 62.87 11.57 5.12 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.509 0.724 . . . . 0.0 111.797 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -115.33 -42.96 3.1 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-O 121.103 0.478 . . . . 0.0 110.232 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -87.96 4.27 45.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.416 0.627 . . . . 0.0 109.391 174.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.524 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 9.1 t90 -60.67 169.16 1.92 Allowed 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 114.82 -1.082 . . . . 0.0 111.127 -179.514 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.473 ' H ' HD12 ' A' ' 89' ' ' LEU . 6.6 mp -54.72 -61.92 1.99 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-O 121.135 0.493 . . . . 0.0 110.767 -178.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.406 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 124.4 177.6 15.04 Favored Glycine 0 N--CA 1.451 -0.333 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.304 177.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 94' ' ' LEU . 8.9 mm-40 -56.15 -12.21 1.44 Allowed 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 123.424 0.69 . . . . 0.0 112.036 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.35 -32.07 71.91 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.063 -177.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.406 HG12 ' O ' ' A' ' 90' ' ' GLY . 10.7 p -68.13 -20.9 26.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.286 0 CA-C-O 120.931 0.396 . . . . 0.0 111.23 -174.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.8 mm? -67.55 -26.27 66.22 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.542 178.321 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -105.68 -30.59 9.36 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -117.19 86.07 20.22 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.207 -179.184 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.688 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 63.9 Cg_endo -86.32 168.97 8.65 Favored 'Trans proline' 0 N--CA 1.46 -0.465 0 C-N-CA 122.666 2.244 . . . . 0.0 112.693 -177.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.619 ' HG3' ' H ' ' A' ' 101' ' ' MET . 11.9 ptm180 -163.9 152.63 11.68 Favored Pre-proline 0 C--N 1.329 -0.286 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -58.25 -26.36 76.36 Favored 'Trans proline' 0 N--CA 1.478 0.587 0 C-N-CA 122.904 2.403 . . . . 0.0 113.426 -172.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.466 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 8.2 p-10 -95.6 -27.09 15.5 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-O 120.538 0.208 . . . . 0.0 110.649 -177.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.619 ' H ' ' HG3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER 33.68 -85.7 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 114.162 1.171 . . . . 0.0 114.162 179.413 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.52 ' N ' ' SD ' ' A' ' 101' ' ' MET . 5.0 m-85 -101.08 23.4 10.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.852 0.358 . . . . 0.0 110.445 -169.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 3.1 ttp180 -38.95 -45.06 1.14 Allowed 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 124.291 1.037 . . . . 0.0 113.074 -179.019 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.1 -53.38 58.85 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-O 120.941 0.4 . . . . 0.0 111.061 -178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.604 ' HG3' HG13 ' A' ' 83' ' ' ILE . 20.1 mp0 -70.31 -38.34 74.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.657 -179.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.36 -50.42 71.57 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.465 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 23.7 tp -72.11 -23.72 61.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.211 -178.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -67.87 -39.59 83.71 Favored 'General case' 0 CA--C 1.529 0.145 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.412 ' O ' ' HG2' ' A' ' 113' ' ' MET . 1.7 mp -60.29 -46.83 94.32 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 173.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 28.0 t80 -54.39 -56.55 17.46 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.861 177.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 90.5 m-20 -63.5 -31.21 72.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.766 -176.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.6 tt -66.03 -59.47 3.78 Favored 'General case' 0 C--O 1.235 0.298 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.412 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 47.9 mmm -70.69 -24.66 62.71 Favored 'General case' 0 C--O 1.235 0.321 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.336 -176.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 39.0 ttpt -47.52 -47.45 27.8 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.369 -0.832 . . . . 0.0 110.992 -178.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -122.06 55.58 1.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.467 0.651 . . . . 0.0 109.996 176.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -150.44 -83.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.198 -0.91 . . . . 0.0 109.881 174.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t -73.61 -45.32 53.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.292 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 50.5 t80 -53.99 -50.79 65.79 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.861 0.362 . . . . 0.0 111.034 177.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -56.77 -39.19 73.6 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.14 -178.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.3 ttt180 -72.21 -45.61 59.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.796 -179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -57.88 -47.91 81.39 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.534 -173.535 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 27.2 m -65.11 -19.09 25.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.607 -0.27 . . . . 0.0 111.593 -177.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 35.9 mtmm -101.44 -10.27 20.34 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.239 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 65.1 m -79.28 146.93 67.78 Favored Pre-proline 0 C--O 1.236 0.387 0 CA-C-N 116.732 -0.213 . . . . 0.0 110.728 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -57.09 92.66 0.05 OUTLIER 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 122.764 2.309 . . . . 0.0 112.042 178.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.1 tt 178.28 -52.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.035 -0.984 . . . . 0.0 108.755 -179.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.409 ' CE2' ' HB2' ' A' ' 12' ' ' ALA . 44.9 t80 -70.67 -54.46 11.81 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.009 -176.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.477 HH21 ' HB3' ' A' ' 134' ' ' GLU . 10.6 mmm180 -59.31 -32.2 69.85 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.11 -178.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.5 mp0 -70.36 -48.73 55.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.565 -179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 94.6 m -62.51 -27.23 69.0 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.798 0.332 . . . . 0.0 110.96 178.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.0 mp -88.46 -27.86 21.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.233 177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 86.2 mt 62.68 22.2 13.2 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.565 -174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -97.36 102.55 14.34 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.196 -176.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.477 ' HB3' HH21 ' A' ' 128' ' ' ARG . 42.7 tt0 61.29 72.74 0.5 Allowed 'General case' 0 C--O 1.237 0.433 0 CA-C-N 115.492 -0.777 . . . . 0.0 110.056 -178.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -178.34 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.653 -176.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 12.4 tp10 . . . . . 0 C--N 1.332 -0.187 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.973 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 18.5 m . . . . . 0 N--CA 1.475 0.798 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.447 ' O ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -67.11 -26.36 66.65 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.152 0.501 . . . . 0.0 109.809 -179.103 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 28.8 m 76.67 97.21 0.07 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 114.992 -1.004 . . . . 0.0 111.344 175.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -83.57 69.86 10.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 122.01 0.91 . . . . 0.0 109.689 178.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.428 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 8.6 pt-20 -82.99 56.35 3.44 Favored 'General case' 0 C--N 1.306 -1.313 0 CA-C-N 114.35 -1.296 . . . . 0.0 111.217 -176.169 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -83.7 157.01 64.62 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.276 176.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -67.83 67.35 0.87 Allowed 'Trans proline' 0 C--N 1.351 0.69 0 C-N-CA 122.613 2.209 . . . . 0.0 110.847 171.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.416 ' HB ' ' CE2' ' A' ' 11' ' ' TRP . 34.6 m -72.24 -9.86 13.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.345 -0.843 . . . . 0.0 112.624 -172.717 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.471 ' HB2' ' HG ' ' A' ' 131' ' ' LEU . . . -51.26 -13.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 -176.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.8 m -66.42 -13.41 60.68 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 111.688 0.255 . . . . 0.0 111.688 177.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.416 ' CE2' ' HB ' ' A' ' 8' ' ' VAL . 54.8 m0 -62.54 -43.79 97.95 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.781 0.324 . . . . 0.0 110.765 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.73 -5.8 17.84 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.996 -177.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.9 mt -79.96 -40.93 26.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.625 0.25 . . . . 0.0 110.638 179.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.2 m -157.02 140.87 16.13 Favored 'General case' 0 C--O 1.237 0.444 0 CA-C-O 120.784 0.326 . . . . 0.0 110.998 -179.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.6 t80 -60.71 -37.84 83.06 Favored 'General case' 0 C--O 1.225 -0.197 0 CA-C-N 116.014 -0.539 . . . . 0.0 109.735 176.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.0 tt0 -48.25 -48.75 35.22 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.817 175.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -57.77 -52.63 64.68 Favored 'General case' 0 N--CA 1.462 0.128 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.525 177.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -58.03 -32.73 68.24 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 121.368 0.604 . . . . 0.0 110.702 179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.49 HD12 HD21 ' A' ' 25' ' ' LEU . 14.0 tp -92.0 -6.64 50.79 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.229 -0.896 . . . . 0.0 110.995 -172.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.505 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.2 mm-40 -112.61 -11.88 13.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.848 175.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -83.42 129.29 60.88 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.048 -178.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -60.08 -40.78 57.85 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.422 2.081 . . . . 0.0 112.108 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -76.51 -41.77 45.69 Favored 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -55.17 -59.19 10.85 Favored Glycine 0 N--CA 1.448 -0.552 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.704 177.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.49 HD21 HD12 ' A' ' 19' ' ' LEU . 6.3 mt -54.85 -40.52 69.73 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 178.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.48 -62.55 1.76 Allowed 'General case' 0 C--O 1.235 0.304 0 CA-C-O 120.805 0.336 . . . . 0.0 111.291 -177.826 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.402 ' HD2' HD11 ' A' ' 126' ' ' LEU . 16.6 m-85 -66.42 -31.88 72.91 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.826 -178.014 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -66.23 -35.56 80.74 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.001 0.429 . . . . 0.0 109.973 175.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 54.4 m -71.16 -32.23 68.67 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.231 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -58.11 -53.28 60.03 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.95 0.405 . . . . 0.0 110.266 175.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.476 ' CE1' HD13 ' A' ' 126' ' ' LEU . 2.9 m-85 -61.94 -47.58 84.27 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.764 176.457 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.499 HD21 ' ND2' ' A' ' 40' ' ' ASN . 30.7 tp -64.49 -25.07 67.83 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.784 -0.643 . . . . 0.0 111.07 -176.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -65.79 -42.01 91.24 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 175.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.1 tmmm? -66.38 -26.46 67.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.732 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.401 ' CD ' HH12 ' A' ' 120' ' ' ARG . 28.1 mm-40 -81.36 -13.16 58.66 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.788 175.719 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 84.6 t80 73.77 -11.48 0.95 Allowed 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.688 0.795 . . . . 0.0 111.775 -179.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 25.7 t -84.07 16.24 3.02 Favored 'General case' 0 CA--C 1.534 0.357 0 O-C-N 122.216 -0.303 . . . . 0.0 111.239 -175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.56 -17.39 2.06 Favored 'General case' 0 N--CA 1.471 0.608 0 CA-C-O 120.933 0.397 . . . . 0.0 112.025 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.516 ' HG3' ' HB2' ' A' ' 79' ' ' SER . 10.5 mm-40 -65.16 -32.97 74.93 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.8 -177.153 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.499 ' ND2' HD21 ' A' ' 32' ' ' LEU . 9.6 p30 -64.91 -39.03 92.88 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 120.961 -0.296 . . . . 0.0 111.497 -172.526 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 23.1 m -75.55 -33.5 27.14 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.302 0 N-CA-C 111.585 0.216 . . . . 0.0 111.585 -177.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.523 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 12.6 t -76.81 -31.26 56.83 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 178.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -63.48 -46.3 86.82 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.504 170.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.505 ' HH2' ' NE2' ' A' ' 20' ' ' GLN . 88.3 t90 -59.16 -54.97 40.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.864 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.523 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 18.0 ptpt -64.18 -31.29 72.43 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.734 -176.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.05 -46.93 87.91 Favored 'General case' 0 CA--C 1.528 0.098 0 CA-C-O 121.108 0.48 . . . . 0.0 110.23 176.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.453 ' SG ' HD13 ' A' ' 68' ' ' ILE . 63.5 m -70.39 -29.25 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.556 178.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 52' ' ' GLN . 1.4 tm-20 -69.07 -36.64 77.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 179.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -73.04 -39.77 65.67 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.439 175.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 6.2 t80 -58.65 -43.97 89.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.597 -178.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -70.91 -2.57 15.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.388 -177.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 74.2 mm-40 -89.3 -22.15 22.81 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.153 175.564 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 61.1 mt -61.9 127.6 89.35 Favored Pre-proline 0 CA--C 1.532 0.27 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.838 178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.423 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 71.4 Cg_exo -50.69 -71.97 0.04 OUTLIER 'Trans proline' 0 C--N 1.35 0.606 0 C-N-CA 122.828 2.352 . . . . 0.0 112.571 178.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 170.02 -43.42 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.126 0.489 . . . . 0.0 110.676 -178.784 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.9 t -69.09 -12.85 62.05 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.347 -174.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -82.0 50.47 1.56 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.943 -178.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 60.4 m -52.63 -30.17 30.08 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.464 -176.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 -62.88 -49.64 74.04 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 120.966 0.412 . . . . 0.0 110.225 176.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -69.68 -35.69 75.34 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-N 116.037 -0.528 . . . . 0.0 109.773 -178.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 94.4 mt -57.32 -52.46 65.25 Favored 'General case' 0 C--O 1.226 -0.152 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.049 176.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.92 -43.45 98.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.879 -179.488 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.498 ' O ' ' HG3' ' A' ' 66' ' ' ARG . 68.7 mm-40 -61.51 -54.78 38.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.686 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.421 ' O ' HG13 ' A' ' 68' ' ' ILE . 41.8 mt-10 -69.61 -28.81 66.25 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 121.023 -0.271 . . . . 0.0 110.856 -178.179 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -64.86 -48.07 75.6 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.538 0.209 . . . . 0.0 110.447 175.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HG3' ' O ' ' A' ' 63' ' ' GLN . 5.2 ppt_? -71.98 -27.22 62.62 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.321 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -64.38 -53.89 41.49 Favored 'General case' 0 N--CA 1.463 0.188 0 N-CA-C 109.727 -0.471 . . . . 0.0 109.727 175.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.453 HD13 ' SG ' ' A' ' 47' ' ' CYS . 83.0 mt -60.73 -45.31 97.92 Favored 'Isoleucine or valine' 0 C--O 1.236 0.348 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.171 177.349 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.469 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 52.3 t80 -61.25 -63.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.164 -177.305 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.522 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 54.7 mt-30 -70.72 -33.95 71.4 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 -170.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -91.97 -9.44 43.0 Favored 'General case' 0 N--CA 1.469 0.521 0 N-CA-C 112.965 0.728 . . . . 0.0 112.965 -176.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.426 ' HD2' ' HA ' ' A' ' 68' ' ' ILE . 74.1 m-85 -138.75 -33.72 0.64 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 -177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.534 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 67.2 mt -103.25 -9.97 19.12 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.787 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.522 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 37.5 t -86.13 169.69 12.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.936 0.398 . . . . 0.0 110.984 -177.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.8 t -74.38 -36.65 63.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.313 0.578 . . . . 0.0 109.859 178.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -99.67 37.69 1.56 Allowed 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.495 178.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.515 ' HA ' ' O ' ' A' ' 70' ' ' GLN . . . -76.68 7.54 4.52 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.368 -0.833 . . . . 0.0 112.293 -175.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.44 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 8.1 mp 74.12 -43.54 0.54 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 124.087 0.955 . . . . 0.0 110.127 -176.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.516 ' HB2' ' HG3' ' A' ' 39' ' ' GLU . 20.0 m -158.91 79.74 2.88 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.221 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -60.53 145.93 97.86 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 122.786 2.324 . . . . 0.0 112.662 -177.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.88 134.4 27.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.6 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 89.0 m-20 -81.28 91.53 6.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.948 0.404 . . . . 0.0 110.866 -177.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.453 HD12 ' HB3' ' A' ' 105' ' ' GLN . 23.9 pt -134.71 -176.99 1.81 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.323 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.259 177.372 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -68.18 88.01 0.29 Allowed 'General case' 0 N--CA 1.463 0.188 0 CA-C-O 121.88 0.848 . . . . 0.0 110.546 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 80.3 mtm180 -99.76 -4.03 31.52 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.986 -1.006 . . . . 0.0 110.786 -179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -70.13 -63.4 1.09 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-O 120.979 0.419 . . . . 0.0 110.431 179.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -98.7 31.25 2.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.722 -178.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.534 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 14.7 t90 -63.65 169.83 3.7 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.9 -176.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 89' ' ' LEU . 6.9 mp -55.91 -68.54 0.2 Allowed 'General case' 0 C--O 1.237 0.437 0 CA-C-O 120.818 0.342 . . . . 0.0 110.596 -175.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.467 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 128.29 -164.55 21.51 Favored Glycine 0 N--CA 1.453 -0.172 0 CA-C-N 116.008 -0.542 . . . . 0.0 112.925 176.377 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.69 -14.01 62.74 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.267 0.627 . . . . 0.0 111.581 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.36 -22.56 62.76 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.134 -173.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 ' HA ' ' NH1' ' A' ' 98' ' ' ARG . 11.9 p -73.09 -18.77 18.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.275 0 CA-C-O 121.008 0.432 . . . . 0.0 110.392 177.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.47 HD22 HG13 ' A' ' 93' ' ' VAL . 3.1 mm? -85.4 -38.26 18.89 Favored 'General case' 0 C--O 1.233 0.226 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 173.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.61 -36.19 82.0 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.926 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -140.7 85.76 12.57 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.134 177.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.598 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 67.1 Cg_endo -73.17 144.38 37.34 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.291 1.994 . . . . 0.0 111.92 -179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.491 ' NH1' ' HA ' ' A' ' 93' ' ' VAL . 0.0 OUTLIER -141.84 146.71 42.03 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.674 179.502 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -60.09 -12.84 20.83 Favored 'Trans proline' 0 C--N 1.351 0.687 0 C-N-CA 123.066 2.511 . . . . 0.0 113.263 -175.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -131.06 103.05 6.29 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.76 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -144.4 -47.55 0.26 Allowed 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -175.243 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.76 ' N ' ' SD ' ' A' ' 101' ' ' MET . 13.7 m-30 -101.28 5.55 42.48 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 122.128 -0.357 . . . . 0.0 111.089 -173.791 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.3 ttp85 -38.14 -44.67 0.86 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.593 0.757 . . . . 0.0 112.645 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.31 -52.53 64.32 Favored 'General case' 0 CA--C 1.532 0.273 0 CA-C-O 121.045 0.45 . . . . 0.0 111.036 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 102' ' ' PHE . 1.7 mp0 -70.69 -30.96 67.68 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.757 -177.217 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.442 ' NE2' ' NE1' ' A' ' 44' ' ' TRP . 15.7 tm0? -65.48 -48.06 73.9 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.289 0.566 . . . . 0.0 109.654 177.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.2 tp -67.01 -26.96 67.04 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.865 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.612 ' HA ' HD21 ' A' ' 111' ' ' ASN . 24.2 tp60 -57.93 -47.84 81.67 Favored 'General case' 0 C--O 1.233 0.187 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.096 177.584 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.94 -41.25 88.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.341 176.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 47.7 t80 -56.89 -59.13 5.5 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.544 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.612 HD21 ' HA ' ' A' ' 108' ' ' GLN . 10.3 p30 -70.74 -16.19 62.75 Favored 'General case' 0 N--CA 1.466 0.359 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.924 -176.18 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 108' ' ' GLN . 0.2 OUTLIER -64.4 -62.13 1.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 178.289 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . . . . . . . . . 26.4 mmt -76.86 -21.09 55.5 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.91 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -49.35 -37.33 24.27 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.636 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -112.54 22.45 14.59 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.063 0.459 . . . . 0.0 110.773 -174.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -148.88 -89.22 0.08 Allowed 'General case' 0 N--CA 1.464 0.27 0 O-C-N 122.276 -0.265 . . . . 0.0 111.285 -176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 9.5 t -60.93 -37.22 81.56 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 120.731 0.3 . . . . 0.0 110.707 -175.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 19.6 t80 -57.44 -57.59 12.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.856 0.36 . . . . 0.0 110.702 175.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.77 -32.09 70.26 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.678 -178.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.401 HH12 ' CD ' ' A' ' 35' ' ' GLU . 70.6 ttt180 -70.87 -45.23 64.77 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.938 -179.547 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.6 t80 -63.25 -50.27 70.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.971 -176.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.2 m -68.38 -14.22 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.951 0.405 . . . . 0.0 111.079 -179.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 24.3 ttmm -85.18 -27.33 26.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.084 176.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 48.5 m -65.69 148.29 98.26 Favored Pre-proline 0 CA--C 1.537 0.45 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 -177.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -56.5 -31.45 86.21 Favored 'Trans proline' 0 C--N 1.354 0.847 0 C-N-CA 123.191 2.594 . . . . 0.0 112.653 -177.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.476 HD13 ' CE1' ' A' ' 31' ' ' PHE . 10.2 tt -52.88 -32.42 44.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.489 -179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.519 ' O ' HD13 ' A' ' 131' ' ' LEU . 16.9 t80 -61.44 -56.75 16.76 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.309 -178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.572 ' HA ' ' HB2' ' A' ' 131' ' ' LEU . 33.4 ttt180 -64.71 -29.32 70.31 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.018 179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -61.87 -16.77 53.06 Favored 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.462 179.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.5 m -101.38 -27.05 13.37 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.443 173.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.572 ' HB2' ' HA ' ' A' ' 128' ' ' ARG . 10.8 mp -80.27 -5.13 55.73 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.744 -179.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.73 13.29 0.38 Allowed 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 -178.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -70.08 77.92 0.5 Allowed 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 121.226 0.536 . . . . 0.0 110.667 177.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -114.95 -42.99 3.15 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.679 176.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -92.56 -30.24 15.75 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 169.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 114.814 -1.085 . . . . 0.0 109.17 171.29 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.5 t . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 92.1 mmm -70.76 142.09 51.41 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.659 178.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.403 HG23 ' O ' ' A' ' 3' ' ' THR . 9.6 t -65.54 111.87 3.33 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 175.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -116.98 127.86 54.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 -175.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -119.8 118.06 29.83 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 174.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -79.48 131.55 64.75 Favored Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 110.522 -0.177 . . . . 0.0 110.522 -178.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -72.31 158.27 51.92 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.303 2.002 . . . . 0.0 111.346 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.751 HG11 ' SG ' ' A' ' 130' ' ' CYS . 34.2 m -62.38 -14.2 12.21 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.326 0 CA-C-O 120.967 0.413 . . . . 0.0 111.768 -178.209 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -71.43 -24.66 62.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.799 177.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 46.9 m -64.23 -16.22 61.59 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.883 -177.12 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.519 ' HB3' HD12 ' A' ' 18' ' ' LEU . 38.9 m0 -59.46 -35.31 73.82 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 121.165 0.507 . . . . 0.0 109.897 175.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -76.65 7.85 4.19 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.962 -174.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 91.8 mt -90.94 -32.55 15.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.611 0.243 . . . . 0.0 110.579 177.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.5 t -167.38 139.98 3.35 Favored 'General case' 0 C--O 1.239 0.517 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.033 -176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 118' ' ' TYR . 23.0 t80 -63.89 -37.36 87.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.687 -0.688 . . . . 0.0 109.599 177.44 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -52.24 -42.61 63.77 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.314 176.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 tpp180 -60.83 -59.71 4.95 Favored 'General case' 0 N--CA 1.461 0.09 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.331 178.602 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 11' ' ' TRP . 7.9 tt -61.26 -29.41 69.83 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.427 -176.528 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.603 HD12 HD21 ' A' ' 25' ' ' LEU . 36.8 tp -83.91 -19.55 34.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.274 -175.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -105.68 -16.28 14.73 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 -179.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -87.9 123.01 69.81 Favored Pre-proline 0 N--CA 1.465 0.282 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.606 -179.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.09 -22.62 67.57 Favored 'Trans proline' 0 C--N 1.349 0.557 0 C-N-CA 122.754 2.302 . . . . 0.0 112.914 -178.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.415 ' O ' ' HB3' ' A' ' 26' ' ' ALA . 1.1 tt -77.53 -49.13 15.34 Favored 'General case' 0 C--O 1.239 0.529 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -58.19 -54.09 40.37 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.433 -0.803 . . . . 0.0 111.348 175.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.603 HD21 HD12 ' A' ' 19' ' ' LEU . 34.7 mt -53.98 -32.13 52.99 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-N 115.731 -0.235 . . . . 0.0 111.592 176.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.571 ' O ' ' HG2' ' A' ' 30' ' ' GLU . . . -57.94 -64.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.662 0.267 . . . . 0.0 110.681 179.229 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -69.55 -32.24 70.91 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.885 0.374 . . . . 0.0 111.028 -178.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.435 ' CG ' HD21 ' A' ' 18' ' ' LEU . 62.6 t80 -66.67 -46.5 75.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.754 -179.255 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.401 HG22 ' O ' ' A' ' 26' ' ' ALA . 3.5 t -68.77 -29.65 68.08 Favored 'General case' 0 C--O 1.225 -0.225 0 N-CA-C 109.891 -0.411 . . . . 0.0 109.891 -178.214 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.571 ' HG2' ' O ' ' A' ' 26' ' ' ALA . 47.3 mm-40 -62.42 -48.89 77.71 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.003 0.43 . . . . 0.0 110.654 176.573 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.427 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.7 t80 -70.76 -37.89 73.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.078 179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 31.6 tp -73.53 -28.32 61.82 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.858 -177.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 49.9 tptt -82.08 -25.43 34.54 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 176.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 tptt -57.9 -43.34 86.1 Favored 'General case' 0 C--O 1.232 0.15 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.674 175.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 52.2 mm-40 -86.23 4.61 38.02 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.718 176.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.4 t80 54.58 66.8 1.13 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.547 0.689 . . . . 0.0 110.765 -177.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 p -153.49 16.46 0.53 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.707 178.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.455 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -66.58 -13.39 61.0 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.423 0.63 . . . . 0.0 110.953 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' HG2' ' HB2' ' A' ' 79' ' ' SER . 3.6 mp0 -68.58 -15.4 63.52 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.773 -176.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -62.51 -48.43 79.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.622 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.459 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 14.0 m -74.95 -35.23 34.95 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 26.7 m -60.24 -41.1 92.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.139 -0.482 . . . . 0.0 109.942 175.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -63.05 -44.02 97.02 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.29 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 78.0 t90 -59.12 -48.36 81.89 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.305 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.512 ' HA ' ' HB3' ' A' ' 48' ' ' GLU . 5.6 mtpm? -75.36 -20.58 58.92 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.034 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.96 -46.33 62.55 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 175.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.509 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 61.5 m -67.61 -35.14 78.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.818 176.22 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HB3' ' HA ' ' A' ' 45' ' ' LYS . 29.6 tt0 -61.16 -49.39 77.4 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.89 174.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.434 ' HA ' ' OE1' ' A' ' 52' ' ' GLN . 44.9 ttm180 -60.45 -35.53 76.07 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.531 178.672 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 8.4 t80 -62.29 -27.47 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.27 -0.877 . . . . 0.0 110.176 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.509 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 72.8 mm-40 -73.09 -21.91 60.67 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.78 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.434 ' OE1' ' HA ' ' A' ' 49' ' ' ARG . 1.5 mp0 -75.61 -10.42 59.43 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.594 -0.276 . . . . 0.0 110.965 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 52.9 mt -85.57 120.67 73.22 Favored Pre-proline 0 C--N 1.33 -0.253 0 N-CA-C 108.812 -0.81 . . . . 0.0 108.812 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.448 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.0 Cg_endo -57.02 -66.3 0.09 OUTLIER 'Trans proline' 0 C--N 1.35 0.654 0 C-N-CA 122.568 2.179 . . . . 0.0 112.558 -173.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.448 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 168.83 -40.55 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.257 0.623 . . . . 0.0 109.845 179.099 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -55.45 -31.96 62.36 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.914 -177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.424 ' HB3' ' CB ' ' A' ' 60' ' ' GLN . 2.8 m-20 -77.32 63.88 2.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.846 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.5 m -61.04 -38.0 84.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.922 0.391 . . . . 0.0 110.582 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.425 ' O ' ' HG3' ' A' ' 63' ' ' GLN . 11.9 pt20 -62.57 -40.33 96.52 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.449 178.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.424 ' CB ' ' HB3' ' A' ' 57' ' ' ASP . 18.7 tp60 -68.77 -45.31 71.72 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.376 -179.412 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' HB3' ' HB2' ' A' ' 97' ' ' PRO . 91.5 mt -56.29 -45.29 80.26 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.216 176.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -60.42 -36.62 78.59 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.16 -178.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.425 ' HG3' ' O ' ' A' ' 59' ' ' GLN . 54.6 mt-30 -69.74 -61.53 1.75 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.932 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.29 -39.01 88.86 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.763 -176.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.44 -46.68 89.1 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.944 0.402 . . . . 0.0 110.563 179.062 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.0 ttp85 -67.78 -35.38 78.57 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.232 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -58.94 -56.78 17.77 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.64 177.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 74.4 mt -54.74 -38.9 45.19 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.51 179.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.492 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 36.5 t80 -60.49 -61.5 2.55 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.578 178.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 55.1 mt-30 -72.98 -16.36 61.52 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HG3' HD13 ' A' ' 78' ' ' LEU . 35.8 tt0 -99.83 -35.91 9.61 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -175.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.482 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 98.3 m-85 -119.06 -22.81 7.07 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -175.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.492 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 61.4 mt -115.16 -10.59 12.13 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 113.104 0.779 . . . . 0.0 113.104 -168.476 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.54 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 48.0 t -78.44 154.65 30.44 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.926 0.393 . . . . 0.0 111.277 -177.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.9 t -64.45 -23.98 67.47 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.695 -179.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -118.1 22.8 12.0 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.188 178.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . -65.82 169.87 6.02 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.277 -178.427 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.427 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.5 mp -59.29 -54.01 51.65 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 109.562 -0.533 . . . . 0.0 109.562 178.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.413 ' HB2' ' HG2' ' A' ' 39' ' ' GLU . 19.4 m -143.81 98.74 5.23 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.299 179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.482 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 29.8 Cg_exo -62.39 99.51 0.2 Allowed 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.458 2.105 . . . . 0.0 111.427 176.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.4 m -62.93 140.69 19.19 Favored 'Isoleucine or valine' 0 C--O 1.237 0.421 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.165 -178.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -77.0 94.52 3.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -177.134 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.469 HD12 ' HG2' ' A' ' 105' ' ' GLN . 33.4 pt -133.86 -164.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 175.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.474 ' H ' HE22 ' A' ' 108' ' ' GLN . 10.0 p-10 -82.33 43.78 0.83 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.366 0.603 . . . . 0.0 109.976 179.206 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.429 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 41.4 ttp-105 -69.58 -8.77 50.18 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.482 -0.781 . . . . 0.0 111.47 -172.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 22.5 mp0 -67.49 -26.51 66.39 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.45 -65.62 1.13 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.906 176.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.429 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 9.0 t90 55.31 -174.69 0.05 OUTLIER 'General case' 0 CA--C 1.545 0.752 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.451 ' N ' HD12 ' A' ' 89' ' ' LEU . 5.5 mp -71.78 -76.01 0.12 Allowed 'General case' 0 C--O 1.234 0.26 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 177.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 143.52 -171.47 25.22 Favored Glycine 0 C--N 1.333 0.369 0 C-N-CA 120.532 -0.842 . . . . 0.0 113.731 174.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -52.68 -26.01 12.63 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 123.844 0.858 . . . . 0.0 112.271 179.069 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.519 ' HA ' ' HB3' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -69.28 -13.53 62.44 Favored 'General case' 0 N--CA 1.462 0.161 0 O-C-N 122.297 -0.252 . . . . 0.0 111.065 -174.509 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.422 HG13 ' HG3' ' A' ' 101' ' ' MET . 98.6 t -67.24 -34.96 72.52 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 121.266 0.555 . . . . 0.0 109.961 171.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.452 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.0 mm? -89.34 -28.21 19.98 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.055 -179.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.519 ' HB3' ' HA ' ' A' ' 92' ' ' GLU . . . -69.12 -57.93 4.75 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.4 178.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -129.2 88.6 50.57 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.677 178.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.562 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 72.7 Cg_endo -74.12 150.84 43.39 Favored 'Trans proline' 0 C--O 1.234 0.303 0 C-N-CA 122.372 2.048 . . . . 0.0 112.434 -176.24 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.569 ' HG2' ' HG2' ' A' ' 101' ' ' MET . 13.2 ptt180 -148.28 145.98 21.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 176.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -59.03 -20.91 56.06 Favored 'Trans proline' 0 CA--C 1.531 0.365 0 C-N-CA 122.778 2.319 . . . . 0.0 112.887 -172.059 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -101.94 13.86 33.59 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -173.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.569 ' HG2' ' HG2' ' A' ' 98' ' ' ARG . 13.1 mmt -58.08 -62.38 1.86 Allowed 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.208 0.528 . . . . 0.0 111.755 178.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.405 ' HB3' ' SG ' ' A' ' 47' ' ' CYS . 80.7 m-85 -80.85 10.73 4.62 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.187 0.81 . . . . 0.0 113.187 -167.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 103' ' ' ARG . 49.3 mtp180 -56.74 -44.95 82.2 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 117.812 0.278 . . . . 0.0 111.643 -176.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -60.31 -54.05 50.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.153 0.501 . . . . 0.0 111.17 -177.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.469 ' HG2' HD12 ' A' ' 83' ' ' ILE . 22.1 mp0 -66.19 -28.9 69.11 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.941 -177.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 51.0 tt0 -60.03 -53.61 55.74 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.121 0.486 . . . . 0.0 109.907 177.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 10.7 mp -66.83 -29.24 69.12 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.821 178.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.474 HE22 ' H ' ' A' ' 84' ' ' ASP . 24.0 tt0 -65.16 -51.53 60.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.504 179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.2 tp -54.74 -42.11 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.581 0.705 . . . . 0.0 109.524 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -55.1 -58.2 8.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 114.497 -1.229 . . . . 0.0 110.433 175.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -74.16 -8.9 57.83 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -173.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 108' ' ' GLN . 62.0 mt -87.22 -35.68 18.4 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.675 0.274 . . . . 0.0 110.981 176.59 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.562 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 13.1 mmt -98.28 -8.59 26.93 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-O 120.754 0.311 . . . . 0.0 110.234 -178.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -50.1 -41.59 48.61 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.169 -0.923 . . . . 0.0 112.078 -176.318 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 34.8 t80 -126.05 24.41 6.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.199 0.523 . . . . 0.0 110.584 -177.584 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -128.42 -82.9 0.58 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.67 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.562 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 19.4 m -57.42 -44.23 84.44 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.008 0.432 . . . . 0.0 110.122 179.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.456 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 34.9 t80 -56.39 -52.31 65.1 Favored 'General case' 0 C--O 1.235 0.337 0 CA-C-N 115.597 -0.728 . . . . 0.0 110.557 173.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.46 ' O ' ' HG3' ' A' ' 123' ' ' LYS . . . -67.76 -21.72 65.25 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.318 -177.238 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 26.9 tpt180 -77.72 -48.06 17.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.312 178.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -59.02 -46.05 89.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.129 -176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.18 -17.96 23.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.706 -177.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 119' ' ' ALA . 65.0 mttp -89.76 -25.51 21.09 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.012 0.434 . . . . 0.0 110.623 176.497 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.406 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 49.2 m -90.75 169.23 12.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 CA-C-N 115.931 -0.577 . . . . 0.0 112.058 -171.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.43 ' O ' ' HB2' ' A' ' 126' ' ' LEU . 71.1 Cg_exo -53.65 -176.23 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.199 0 C-N-CA 123.054 2.503 . . . . 0.0 112.592 172.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 97.3 mt 71.91 -56.37 0.64 Allowed 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 122.955 0.502 . . . . 0.0 110.444 -174.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 80.0 t80 -61.39 -66.37 0.55 Allowed 'General case' 0 C--O 1.232 0.132 0 N-CA-C 110.124 -0.325 . . . . 0.0 110.124 175.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.9 ptm180 -58.1 -28.46 64.63 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.056 0.455 . . . . 0.0 110.339 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -68.35 -36.92 79.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.372 179.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.751 ' SG ' HG11 ' A' ' 8' ' ' VAL . 48.9 t -72.17 -30.6 65.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.232 178.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -71.73 -30.11 65.26 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 172.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 65.75 -76.79 0.04 OUTLIER 'General case' 0 C--O 1.236 0.346 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.36 178.153 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -151.45 -70.3 0.17 Allowed 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.204 -178.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -109.22 -80.08 0.58 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.544 -0.298 . . . . 0.0 110.353 178.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -174.75 102.78 0.09 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.566 -179.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 . . . . . 0 C--N 1.328 -0.364 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 176.788 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.8 mmt -68.64 -34.98 76.65 Favored 'General case' 0 C--O 1.234 0.245 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 176.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 24.4 p -78.23 166.57 22.57 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.527 -0.76 . . . . 0.0 110.12 175.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.433 ' O ' HD11 ' A' ' 13' ' ' LEU . 38.4 tt0 -75.1 -30.39 60.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.562 0.22 . . . . 0.0 111.234 -177.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 58.13 70.52 0.65 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 121.561 0.696 . . . . 0.0 109.557 -176.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.592 ' N ' ' HD2' ' A' ' 7' ' ' PRO . 91.3 mt-30 -65.92 -42.97 56.39 Favored Pre-proline 0 CA--C 1.538 0.498 0 CA-C-N 114.945 -1.025 . . . . 0.0 112.79 -174.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.592 ' HD2' ' N ' ' A' ' 6' ' ' GLN . 36.8 Cg_endo -64.76 -162.81 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.1 0 C-N-CA 121.863 1.709 . . . . 0.0 112.269 177.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.512 HG21 ' SG ' ' A' ' 130' ' ' CYS . 34.4 m -60.89 -11.39 4.07 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.359 0 CA-C-N 116.409 -0.36 . . . . 0.0 111.754 -178.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.12 -14.79 26.98 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-O 120.916 0.389 . . . . 0.0 111.102 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 10.5 p -58.55 -17.38 21.11 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.683 178.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 18' ' ' LEU . 33.6 m0 -62.03 -34.62 76.56 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.107 0.48 . . . . 0.0 110.171 176.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.65 -5.71 31.56 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.54 -177.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.433 HD11 ' O ' ' A' ' 4' ' ' GLU . 89.2 mt -81.11 -36.24 30.6 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.863 0.364 . . . . 0.0 110.493 176.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.434 ' HB3' ' HG3' ' A' ' 17' ' ' ARG . 36.6 t -159.0 137.4 10.74 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.902 -178.198 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.0 t80 -63.76 -37.79 88.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.236 178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -59.3 -42.6 91.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.084 178.229 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.434 ' HG3' ' HB3' ' A' ' 14' ' ' SER . 22.0 mtp180 -61.11 -44.27 97.6 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.367 178.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.48 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 32.3 tp -60.9 -42.12 97.43 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.586 0.708 . . . . 0.0 110.309 175.093 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.542 HD12 ' HG ' ' A' ' 25' ' ' LEU . 17.3 tp -82.12 -12.18 58.34 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.899 -1.046 . . . . 0.0 111.256 -171.376 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.499 ' NE2' ' HH2' ' A' ' 44' ' ' TRP . 22.0 mm-40 -106.68 0.53 24.37 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.973 175.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 17.9 t70 -99.53 124.69 43.57 Favored Pre-proline 0 C--N 1.33 -0.263 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.402 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 51.8 Cg_exo -54.93 -46.09 35.96 Favored 'Trans proline' 0 C--N 1.349 0.584 0 C-N-CA 122.622 2.215 . . . . 0.0 112.931 -177.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.413 HD22 ' HH2' ' A' ' 11' ' ' TRP . 3.6 tt -69.74 -42.74 73.52 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 -178.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -59.98 -56.23 25.86 Favored Glycine 0 N--CA 1.45 -0.428 0 CA-C-N 115.45 -0.795 . . . . 0.0 112.542 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.542 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.8 OUTLIER -57.61 -32.91 67.69 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 -179.658 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.12 -58.05 10.15 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.174 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -70.72 -32.17 69.27 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.152 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 45.6 t80 -63.25 -49.56 73.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.399 . . . . 0.0 110.665 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 7.5 t -71.73 -21.72 61.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.331 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.8 -58.54 8.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 177.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 32.2 m-85 -56.5 -46.66 80.41 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.14 0.495 . . . . 0.0 110.714 176.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 16.1 tp -63.29 -23.36 67.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.59 -177.407 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -82.87 -34.53 26.73 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.117 177.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 43.9 mttp -53.91 -48.78 69.82 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-O 120.846 0.355 . . . . 0.0 111.277 179.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.22 -1.39 58.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.384 -177.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 37.5 t80 57.14 75.32 0.37 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.512 0.672 . . . . 0.0 110.61 -176.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 p -147.21 21.22 1.22 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.628 171.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.3 -3.83 22.68 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-N 114.673 -1.149 . . . . 0.0 111.083 -176.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.431 ' HG3' ' HB3' ' A' ' 79' ' ' SER . 1.8 mp0 -55.23 -37.05 66.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.733 178.366 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -60.3 -56.46 21.19 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.281 -177.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.555 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 24.9 m -66.62 -35.69 75.45 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.217 0 C-N-CA 121.083 -0.247 . . . . 0.0 111.144 -178.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 30.9 m -63.25 -40.94 98.83 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 121.186 0.517 . . . . 0.0 110.188 178.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.401 ' CB ' HG11 ' A' ' 81' ' ' VAL . 76.9 t80 -62.27 -37.07 84.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.078 176.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.507 ' O ' ' SG ' ' A' ' 47' ' ' CYS . 62.2 t90 -73.57 -38.11 65.31 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.145 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.567 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 99.1 mttt -59.96 -34.8 73.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 121.423 0.63 . . . . 0.0 109.448 176.325 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.57 -30.36 69.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.22 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.686 ' HB3' ' HG2' ' A' ' 106' ' ' GLN . 14.0 p -77.42 -33.45 54.95 Favored 'General case' 0 C--O 1.232 0.151 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.866 -177.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.567 ' HG3' ' O ' ' A' ' 45' ' ' LYS . 0.8 OUTLIER -77.12 -29.48 54.77 Favored 'General case' 0 N--CA 1.463 0.209 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 -179.857 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.88 -15.04 58.14 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.277 176.884 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 29.8 t80 -93.66 -41.74 9.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.451 -179.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.456 ' HG2' ' HA ' ' A' ' 48' ' ' GLU . 11.7 pt20 -69.67 -9.5 54.54 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.755 -175.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -76.12 -18.82 58.98 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.9 0.381 . . . . 0.0 110.453 177.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' HA ' ' HD3' ' A' ' 54' ' ' PRO . 56.3 mt -72.17 127.75 89.96 Favored Pre-proline 0 CA--C 1.536 0.435 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.141 178.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.6 Cg_exo -68.03 16.24 0.15 Allowed 'Trans proline' 0 CA--C 1.541 0.852 0 C-N-CA 123.346 2.698 . . . . 0.0 114.588 -175.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 74.33 -46.29 0.61 Allowed 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 174.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.8 t -57.59 -27.55 62.82 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-O 120.952 0.406 . . . . 0.0 111.012 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.435 ' O ' ' HG ' ' A' ' 61' ' ' LEU . 10.3 m-20 -78.09 73.49 4.65 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.199 177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 23.7 m -59.99 -43.7 95.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.873 -177.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.523 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 12.6 pt20 -56.87 -39.53 74.49 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.509 179.304 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -71.84 -44.4 63.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.294 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 ' HG ' ' O ' ' A' ' 57' ' ' ASP . 95.5 mt -53.62 -41.78 67.03 Favored 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.222 176.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -61.77 -39.9 93.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.107 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.523 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 21.0 mm-40 -61.58 -59.52 5.09 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.63 -176.65 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' O ' HG13 ' A' ' 68' ' ' ILE . 1.1 mp0 -60.5 -48.93 79.63 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.256 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.44 -44.87 92.85 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.737 0.303 . . . . 0.0 111.754 -176.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.6 ttt180 -65.55 -33.86 76.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.653 -177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -66.42 -49.69 65.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.775 176.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 64' ' ' GLU . 76.3 mt -52.89 -42.57 43.86 Favored 'Isoleucine or valine' 0 C--O 1.234 0.264 0 CA-C-O 121.41 0.624 . . . . 0.0 109.956 176.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -58.5 -57.71 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.063 -0.971 . . . . 0.0 110.987 178.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.613 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 56.8 mt-30 -68.67 -30.41 69.08 Favored 'General case' 0 CA--C 1.532 0.271 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -174.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.453 ' O ' ' HB1' ' A' ' 77' ' ' ALA . 0.7 OUTLIER -81.16 -46.7 14.5 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -177.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -109.35 -25.93 10.29 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 -170.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.2 mt -121.62 1.74 10.06 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 -166.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.613 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 95.9 p -73.95 -173.13 1.49 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 117.847 0.294 . . . . 0.0 111.455 -176.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.9 m -48.11 -55.36 10.47 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 122.856 0.463 . . . . 0.0 111.67 -176.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -114.6 -35.68 4.8 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 109.852 177.172 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.453 ' HB1' ' O ' ' A' ' 71' ' ' GLU . . . 72.39 148.82 0.09 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.331 -0.849 . . . . 0.0 112.106 175.467 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.418 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.8 mp -72.8 -35.75 67.42 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.099 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.431 ' HB3' ' HG3' ' A' ' 39' ' ' GLU . 20.4 m -153.81 86.62 3.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 115.604 -0.726 . . . . 0.0 109.147 177.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 64.1 Cg_endo -72.82 150.24 49.38 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.62 2.214 . . . . 0.0 112.745 -175.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.693 HG23 HG12 ' A' ' 83' ' ' ILE . 6.6 m -101.42 160.41 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.806 177.576 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.56 HD22 HD21 ' A' ' 112' ' ' LEU . 60.0 t30 -81.35 63.33 5.63 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-O 121.461 0.648 . . . . 0.0 111.387 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.693 HG12 HG23 ' A' ' 81' ' ' VAL . 25.6 pt -135.28 176.7 8.01 Favored 'Isoleucine or valine' 0 C--O 1.238 0.494 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.8 p-10 -92.81 139.45 30.53 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.021 0.439 . . . . 0.0 110.045 179.331 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.444 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 0.5 OUTLIER -112.64 19.22 17.67 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 170.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -92.73 -46.24 7.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 114.948 -1.024 . . . . 0.0 109.525 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -101.51 21.6 14.0 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 115.26 -0.882 . . . . 0.0 109.92 178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.444 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 8.2 t90 -73.68 173.19 10.14 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.095 -178.059 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.532 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.4 mp -62.73 -64.24 0.98 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.109 0.48 . . . . 0.0 110.317 -177.454 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.58 ' O ' HG12 ' A' ' 93' ' ' VAL . . . 131.16 -171.71 20.95 Favored Glycine 0 N--CA 1.452 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.833 178.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.545 ' HA ' HD23 ' A' ' 94' ' ' LEU . 37.4 mt-10 -70.17 -14.1 62.48 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.988 0.423 . . . . 0.0 110.932 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -64.42 -31.04 72.09 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.795 -176.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.58 HG12 ' O ' ' A' ' 90' ' ' GLY . 14.8 p -83.31 -13.17 11.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.99 -176.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.545 HD23 ' HA ' ' A' ' 91' ' ' GLU . 3.1 mm? -87.42 -27.61 22.63 Favored 'General case' 0 N--CA 1.464 0.249 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 174.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -76.73 -40.47 48.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.872 -0.604 . . . . 0.0 109.819 174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -124.22 94.25 45.53 Favored Pre-proline 0 C--O 1.235 0.304 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.489 177.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 68.8 Cg_endo -87.34 159.06 8.2 Favored 'Trans proline' 0 CA--C 1.533 0.456 0 C-N-CA 122.704 2.269 . . . . 0.0 113.295 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.414 ' HB2' ' HD2' ' A' ' 99' ' ' PRO . 0.0 OUTLIER -148.42 155.56 42.41 Favored Pre-proline 0 CA--C 1.535 0.401 0 CA-C-N 115.432 -0.803 . . . . 0.0 109.148 178.028 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.414 ' HD2' ' HB2' ' A' ' 98' ' ' ARG . 16.2 Cg_endo -54.97 -29.0 62.34 Favored 'Trans proline' 0 N--CA 1.482 0.82 0 C-N-CA 123.204 2.602 . . . . 0.0 113.736 -171.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.462 ' HB2' ' HB2' ' A' ' 103' ' ' ARG . 12.2 p-10 -92.82 -35.73 13.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.7 0.285 . . . . 0.0 110.309 -179.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.457 ' SD ' ' N ' ' A' ' 102' ' ' PHE . 0.0 OUTLIER 39.93 -87.9 0.01 OUTLIER 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.311 1.044 . . . . 0.0 113.743 178.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.457 ' N ' ' SD ' ' A' ' 101' ' ' MET . 0.8 OUTLIER -104.85 20.03 19.47 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 -172.127 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.462 ' HB2' ' HB2' ' A' ' 100' ' ' ASP . 78.3 ttt180 -33.16 -48.79 0.23 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 124.643 1.177 . . . . 0.0 113.489 -173.609 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.58 -47.24 84.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.5 -177.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -70.22 -36.65 74.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.305 -176.504 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.686 ' HG2' ' HB3' ' A' ' 47' ' ' CYS . 3.5 mp0 -61.11 -42.66 98.94 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.967 0.413 . . . . 0.0 110.12 174.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 21.9 tp -72.0 -26.59 62.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.925 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.6 tp60 -63.96 -45.29 89.79 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.566 HD11 ' HB ' ' A' ' 81' ' ' VAL . 8.4 mm -57.94 -47.14 87.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.124 174.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 78.8 t80 -54.42 -59.77 4.25 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.592 179.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -63.56 -28.07 69.68 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.305 -176.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.56 HD21 HD22 ' A' ' 82' ' ' ASN . 65.2 tp -64.2 -66.06 0.59 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 120.975 0.417 . . . . 0.0 110.454 178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.457 ' HG2' ' O ' ' A' ' 109' ' ' ILE . 23.5 ptt? -68.15 -18.44 64.62 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.938 -178.15 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 65.2 tttm -56.95 -28.59 62.36 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.761 176.3 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 93.0 m-85 -122.03 32.13 5.94 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.632 -179.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -146.64 -86.59 0.1 Allowed 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.604 -179.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 22.1 t -61.92 -32.92 73.36 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 122.457 0.303 . . . . 0.0 110.473 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 35.3 t80 -60.28 -49.75 76.38 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.352 175.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.8 -33.97 75.07 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.299 178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.01 -51.69 60.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.635 176.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 76.5 t80 -59.39 -56.46 21.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.986 -0.552 . . . . 0.0 112.056 -173.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 35.5 m -61.72 -14.69 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -174.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -98.66 -26.8 14.25 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 120.803 0.335 . . . . 0.0 110.589 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 68.0 m -82.31 168.9 20.45 Favored Pre-proline 0 CA--C 1.538 0.487 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.836 -175.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -58.67 -175.08 0.08 OUTLIER 'Trans proline' 0 C--N 1.357 1.007 0 C-N-CA 123.048 2.499 . . . . 0.0 112.603 173.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 61.6 mt 69.65 -52.0 0.62 Allowed 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 123.706 0.802 . . . . 0.0 110.98 -175.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -55.78 -60.6 3.23 Favored 'General case' 0 C--O 1.231 0.096 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 172.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -63.45 -28.22 69.82 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.068 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -71.9 -27.4 62.81 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.656 -0.247 . . . . 0.0 110.653 174.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.512 ' SG ' HG21 ' A' ' 8' ' ' VAL . 43.0 t -76.12 -30.24 58.13 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.158 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.8 mp -70.08 -24.97 63.31 Favored 'General case' 0 C--O 1.231 0.132 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 170.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 49.9 tp 74.22 -56.39 0.64 Allowed 'General case' 0 N--CA 1.466 0.339 0 O-C-N 124.179 0.925 . . . . 0.0 111.259 178.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 135' ' ' ALA . . . 65.79 -86.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.376 -178.228 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 41.53 -82.95 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.57 0.748 . . . . 0.0 112.22 -176.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 133' ' ' ALA . . . -63.64 -28.49 69.95 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 122.733 0.413 . . . . 0.0 110.816 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.448 175.126 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 15.6 m . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 2.9 mpp? -142.92 1.52 1.29 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.561 -176.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.2 t -147.56 27.27 1.01 Allowed 'General case' 0 CA--C 1.536 0.412 0 CA-C-O 121.103 0.477 . . . . 0.0 111.582 -172.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 9.2 mp0 -86.74 -175.93 5.6 Favored 'General case' 0 C--O 1.239 0.514 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.184 -179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 62.77 -174.75 0.15 Allowed 'General case' 0 C--O 1.238 0.473 0 CA-C-N 115.553 -0.749 . . . . 0.0 112.043 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.408 ' HA ' ' HD3' ' A' ' 7' ' ' PRO . 2.1 mp0 -84.09 152.01 61.21 Favored Pre-proline 0 CA--C 1.532 0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.315 -174.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 6' ' ' GLN . 19.1 Cg_exo -67.94 -147.3 0.02 OUTLIER 'Trans proline' 0 CA--C 1.539 0.755 0 C-N-CA 123.193 2.595 . . . . 0.0 112.504 177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.535 HG21 ' HB3' ' A' ' 130' ' ' CYS . 35.8 m -50.67 -25.28 3.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.2 -13.01 10.19 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 120.841 0.353 . . . . 0.0 111.538 -179.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.447 ' HB3' ' HD2' ' A' ' 17' ' ' ARG . 50.6 m -70.36 -14.27 62.5 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.658 179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.1 m0 -60.71 -44.6 96.4 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-O 121.003 0.43 . . . . 0.0 110.062 178.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.5 -2.92 21.5 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.428 -179.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 82.5 mt -92.68 -38.95 11.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.768 0.318 . . . . 0.0 110.271 178.092 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.6 m -150.7 131.58 14.18 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.109 -179.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -67.9 -41.01 83.34 Favored 'General case' 0 C--O 1.226 -0.17 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 177.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -48.19 -49.03 34.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.583 175.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.447 ' HD2' ' HB3' ' A' ' 10' ' ' SER . 32.3 ttm180 -65.77 -42.92 90.23 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.951 -178.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.71 -38.36 81.41 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.65 0.738 . . . . 0.0 110.351 175.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 17.7 tp -83.96 -17.44 40.59 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 114.684 -1.144 . . . . 0.0 110.654 -173.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.8 tp-100 -87.45 -45.34 10.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.573 177.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -68.03 116.53 39.73 Favored Pre-proline 0 CA--C 1.531 0.233 0 CA-C-N 115.274 -0.876 . . . . 0.0 110.781 -178.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -59.43 -34.59 97.35 Favored 'Trans proline' 0 C--N 1.348 0.548 0 C-N-CA 122.706 2.27 . . . . 0.0 112.478 -178.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.6 tt -66.15 -51.62 56.14 Favored 'General case' 0 C--O 1.24 0.562 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.23 -50.36 68.49 Favored Glycine 0 N--CA 1.448 -0.506 0 CA-C-N 115.496 -0.775 . . . . 0.0 112.081 177.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 tt -57.32 -32.49 66.75 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 122.383 0.273 . . . . 0.0 110.338 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.59 -46.63 89.03 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.955 0.407 . . . . 0.0 110.809 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' O ' ' HB3' ' A' ' 30' ' ' GLU . 60.9 m-85 -72.41 -37.69 68.6 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.002 0.43 . . . . 0.0 110.372 177.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 90.6 t80 -58.7 -47.4 84.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.345 178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.506 ' HA ' ' HB3' ' A' ' 32' ' ' LEU . 12.5 t -73.57 -22.96 59.91 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.294 -179.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 27' ' ' TYR . 16.8 tp10 -57.26 -53.24 60.37 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.943 0.401 . . . . 0.0 109.957 177.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -68.17 -34.14 75.75 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.185 0.516 . . . . 0.0 110.593 176.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.58 HD21 HD21 ' A' ' 40' ' ' ASN . 21.1 tp -67.31 -24.33 65.74 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.416 -179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -75.24 -24.38 57.65 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.883 -0.598 . . . . 0.0 110.87 176.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 32.4 ttpt -57.05 -54.76 43.07 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -177.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -86.58 -5.57 59.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.539 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.5 t80 64.96 77.39 0.31 Allowed 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.601 -178.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 13.3 p -148.52 25.12 0.98 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.386 176.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.457 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -69.78 -2.85 13.18 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.409 -176.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.14 -28.3 64.18 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.824 -176.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.58 HD21 HD21 ' A' ' 32' ' ' LEU . 8.6 p30 -66.53 -43.55 84.86 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.502 0.192 . . . . 0.0 111.146 -175.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 33.9 m -70.23 -32.78 51.92 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 120.879 0.371 . . . . 0.0 110.349 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 22.0 m -66.0 -39.66 90.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 176.509 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -59.56 -48.01 83.31 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.158 175.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.408 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 83.2 t90 -57.58 -55.72 31.19 Favored 'General case' 0 CA--C 1.531 0.242 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.439 -179.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.3 mtpp -59.52 -38.64 81.5 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.043 -179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.74 -43.55 98.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.024 0.44 . . . . 0.0 110.396 179.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 71.0 m -66.5 -34.54 78.16 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.582 178.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 16.3 mm-40 -67.63 -27.33 66.79 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.519 176.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.403 ' O ' ' HB3' ' A' ' 52' ' ' GLN . 56.8 ttt85 -85.28 -27.88 25.68 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.936 0.398 . . . . 0.0 110.266 176.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' HD1' ' HB2' ' A' ' 101' ' ' MET . 51.3 t80 -66.54 -43.71 84.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.029 179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.43 ' HG2' ' O ' ' A' ' 48' ' ' GLU . 2.4 pt20 -66.14 -13.69 60.58 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.104 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.403 ' HB3' ' O ' ' A' ' 49' ' ' ARG . 8.3 tt0 -62.35 -32.14 72.88 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.368 178.145 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 40.1 mt -75.41 112.52 19.36 Favored Pre-proline 0 CA--C 1.536 0.408 0 CA-C-N 115.833 -0.621 . . . . 0.0 109.583 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.49 ' O ' ' HB2' ' A' ' 55' ' ' ALA . 19.6 Cg_endo -57.3 -46.79 25.73 Favored 'Trans proline' 0 C--N 1.353 0.798 0 C-N-CA 122.732 2.288 . . . . 0.0 113.215 -172.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.49 ' HB2' ' O ' ' A' ' 54' ' ' PRO . . . 159.01 -32.31 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.757 0.823 . . . . 0.0 109.789 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.3 m -48.87 -33.16 10.13 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.318 -0.855 . . . . 0.0 112.352 -173.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.505 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 12.5 m-20 -102.79 84.01 2.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.681 0.277 . . . . 0.0 110.886 179.721 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 26.3 m -63.41 -44.08 95.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.17 0.509 . . . . 0.0 110.603 178.595 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.485 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 22.5 mp0 -66.63 -40.04 88.56 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.792 -178.24 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.505 ' HB3' ' HB3' ' A' ' 57' ' ' ASP . 28.7 tt0 -64.35 -42.07 96.42 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 177.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 46.8 mt -53.35 -43.34 67.64 Favored 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.112 -0.495 . . . . 0.0 109.942 173.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.26 -30.77 71.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.564 -179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 65.7 mm-40 -67.43 -54.45 20.24 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 121.081 0.467 . . . . 0.0 110.228 -178.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.64 -32.77 74.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.34 177.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.23 -50.87 70.04 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.915 178.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -67.95 -32.23 72.52 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.879 -178.259 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -63.69 -57.98 8.32 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 120.774 0.321 . . . . 0.0 110.291 176.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 76.0 mt -59.0 -38.9 76.7 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.201 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.258 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.584 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 79.1 t80 -61.66 -62.2 1.98 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.924 -179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.697 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 97.1 mt-30 -69.56 -6.73 32.88 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.011 -173.031 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.592 ' HG3' HD13 ' A' ' 78' ' ' LEU . 16.3 tt0 -106.97 -41.33 5.21 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 111.684 0.253 . . . . 0.0 111.684 -178.048 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.5 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 54.9 m-85 -120.36 -14.27 8.75 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 -173.728 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.584 ' HB2' ' HA ' ' A' ' 69' ' ' TYR . 40.2 mt -127.09 -5.49 6.14 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -168.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.697 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 32.2 t -72.94 -175.7 1.84 Allowed 'General case' 0 C--O 1.236 0.391 0 CA-C-N 117.821 0.282 . . . . 0.0 110.95 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -56.72 -64.6 0.82 Allowed 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.804 -178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 -97.57 -62.36 1.26 Allowed 'General case' 0 C--O 1.234 0.27 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 173.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.554 ' HB2' ' HB3' ' A' ' 74' ' ' SER . . . 60.17 -166.06 0.2 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.754 179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.592 HD13 ' HG3' ' A' ' 71' ' ' GLU . 7.3 mp -76.96 -36.69 56.32 Favored 'General case' 0 C--O 1.235 0.312 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 174.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.1 t -171.46 117.69 0.44 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.231 176.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.5 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 84.4 Cg_endo -77.78 36.97 0.59 Allowed 'Trans proline' 0 C--N 1.349 0.56 0 C-N-CA 122.981 2.454 . . . . 0.0 112.797 -176.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.485 ' HB ' HD11 ' A' ' 109' ' ' ILE . 6.1 m 31.05 -122.95 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 123.695 0.798 . . . . 0.0 112.119 -173.014 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -168.81 84.83 0.16 Allowed 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD11 HD22 ' A' ' 73' ' ' LEU . 21.1 pt -139.05 -156.96 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.383 -175.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -43.85 -62.16 1.2 Allowed 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.221 0.609 . . . . 0.0 111.817 -177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 25.9 mmm180 59.04 -78.02 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.546 -175.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 55.1 tt0 -55.31 -45.02 76.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.057 178.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -108.98 30.14 6.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.145 -177.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.697 ' HE1' ' HG2' ' A' ' 105' ' ' GLN . 7.5 t90 -73.97 164.26 26.85 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.649 -176.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 85.8 mt -54.69 -63.22 1.22 Allowed 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.292 -175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 130.58 176.32 14.37 Favored Glycine 0 N--CA 1.452 -0.237 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.344 177.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.509 ' HA ' HD23 ' A' ' 94' ' ' LEU . 0.9 OUTLIER -73.78 4.09 5.66 Favored 'General case' 0 CA--C 1.535 0.378 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -177.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -62.07 -29.38 70.26 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.235 0.541 . . . . 0.0 109.674 177.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.3 t -67.13 -30.04 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.095 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.509 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.8 mm? -78.55 -30.86 47.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.98 0.419 . . . . 0.0 110.2 -178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -71.53 -56.28 6.2 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.035 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -141.61 96.84 6.77 Favored Pre-proline 0 CA--C 1.533 0.307 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.857 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -74.62 -166.47 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 123.096 2.531 . . . . 0.0 112.785 -178.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -164.93 155.95 12.82 Favored Pre-proline 0 C--O 1.234 0.243 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.775 -174.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.445 ' HB3' ' O ' ' A' ' 54' ' ' PRO . 60.4 Cg_endo -71.24 -17.38 31.15 Favored 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.708 2.272 . . . . 0.0 112.29 178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -56.56 -34.42 67.09 Favored 'General case' 0 C--O 1.233 0.19 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.341 178.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.53 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . 1.2 tmt? 64.52 163.57 0.13 Allowed 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 115.597 -0.728 . . . . 0.0 112.043 171.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -68.05 61.35 0.08 Allowed 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.954 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -69.89 -41.8 74.25 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 122.72 0.408 . . . . 0.0 112.016 -172.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -66.94 -35.21 79.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.218 0.532 . . . . 0.0 110.659 -178.611 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.697 ' HG2' ' HE1' ' A' ' 88' ' ' TRP . 23.7 mp0 -79.77 -39.04 31.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.556 -177.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.408 ' HG2' ' CD1' ' A' ' 44' ' ' TRP . 1.0 OUTLIER -59.07 -50.89 72.35 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.306 177.675 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 14.4 tp -71.69 -23.41 61.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.327 -177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.648 HE21 ' HA ' ' A' ' 108' ' ' GLN . 0.0 OUTLIER -62.58 -50.87 69.59 Favored 'General case' 0 C--N 1.334 -0.107 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 175.323 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.485 HD11 ' HB ' ' A' ' 81' ' ' VAL . 24.0 mm -61.66 -43.23 96.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.553 178.348 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.425 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 45.6 t80 -55.0 -56.15 22.99 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.933 177.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -67.61 -24.47 65.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.318 -178.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.2 tp -67.98 -47.27 69.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.798 0.332 . . . . 0.0 110.7 -179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.581 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 17.8 mmt -88.58 -12.83 41.58 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.671 -178.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.425 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 37.6 ttpt -54.39 -33.29 58.96 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.801 -175.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 45.8 t80 -126.5 25.63 6.48 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 121.5 0.667 . . . . 0.0 109.723 178.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.581 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 14.5 t70 -127.31 -86.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.187 -178.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.406 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 15.2 m -65.91 -36.68 84.05 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.934 0.397 . . . . 0.0 110.369 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -58.43 -51.16 71.02 Favored 'General case' 0 C--O 1.234 0.256 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.454 174.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -60.93 -31.57 71.09 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.708 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -69.25 -47.51 64.49 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.216 178.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 77.1 t80 -64.63 -45.73 85.61 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.589 -175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.3 m -66.11 -13.23 15.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.641 0.258 . . . . 0.0 111.353 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -100.61 -18.54 16.53 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.59 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 90.9 p -62.72 141.14 97.15 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 110.055 -0.35 . . . . 0.0 110.055 178.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.454 ' O ' ' HG3' ' A' ' 129' ' ' GLU . 11.2 Cg_endo -53.18 -31.41 55.15 Favored 'Trans proline' 0 C--N 1.352 0.749 0 C-N-CA 122.897 2.398 . . . . 0.0 112.471 -175.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 9.6 tt -56.12 -38.8 71.27 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.645 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -61.29 -42.43 98.64 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-O 121.065 0.46 . . . . 0.0 110.102 178.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -68.61 -30.75 69.56 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.332 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 125' ' ' PRO . 42.6 mt-10 -66.28 -37.13 84.71 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-O 121.103 0.478 . . . . 0.0 109.976 175.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . 0.535 ' HB3' HG21 ' A' ' 8' ' ' VAL . 82.6 m -66.86 -34.28 77.45 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.551 177.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.7 mp -81.55 -17.16 49.37 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.834 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.422 ' O ' ' N ' ' A' ' 134' ' ' GLU . 27.1 tp -68.95 -64.26 0.9 Allowed 'General case' 0 C--O 1.233 0.23 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 50.39 -80.57 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 172.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 132' ' ' LEU . 36.3 tt0 -84.78 -30.61 24.48 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.211 -172.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -74.13 77.77 1.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.115 0.483 . . . . 0.0 111.247 -176.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 178.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 12.7 p . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 85.3 mtp -88.09 -65.95 0.96 Allowed 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 25.3 m -157.1 -61.41 0.09 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.303 -0.862 . . . . 0.0 108.769 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 63.84 146.11 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 114.864 -1.062 . . . . 0.0 111.907 176.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -146.08 75.55 1.42 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.176 -177.362 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 87.2 mm-40 -147.49 151.68 40.28 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.192 -178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -47.83 -48.88 14.86 Favored 'Trans proline' 0 C--N 1.348 0.55 0 C-N-CA 122.805 2.336 . . . . 0.0 112.577 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.1 m -80.32 -12.41 12.91 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.446 -178.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -70.09 -13.77 62.36 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.975 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.9 m -59.45 -20.81 57.92 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.38 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 36.5 m0 -60.39 -47.29 86.71 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.685 -178.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.59 -5.1 43.69 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.636 -175.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 83.6 mt -85.33 -40.18 16.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.449 -0.342 . . . . 0.0 110.156 178.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.2 m -156.34 136.45 12.83 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.602 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -62.92 -40.09 96.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.664 -178.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' OE2' ' HG2' ' A' ' 17' ' ' ARG . 2.3 pp20? -62.35 -33.14 74.14 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 111.728 0.27 . . . . 0.0 111.728 179.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.511 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 5.3 mmp_? -62.6 -46.48 88.08 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 173.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.4 tp -64.56 -46.72 81.58 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.578 0.704 . . . . 0.0 111.104 178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 27.8 tp -78.85 -24.68 44.22 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 114.871 -1.059 . . . . 0.0 111.973 -167.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -102.43 4.81 39.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.011 0.434 . . . . 0.0 110.846 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 18.8 t70 -99.06 129.77 28.83 Favored Pre-proline 0 C--N 1.331 -0.206 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 177.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -58.98 -43.44 43.01 Favored 'Trans proline' 0 CA--C 1.533 0.446 0 C-N-CA 122.29 1.993 . . . . 0.0 112.456 -178.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.0 tt -72.59 -42.16 64.84 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 -178.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.58 -54.41 37.32 Favored Glycine 0 N--CA 1.449 -0.466 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.306 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.524 HD13 ' HE2' ' A' ' 45' ' ' LYS . 0.6 OUTLIER -60.91 -26.54 67.53 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.379 0.272 . . . . 0.0 110.525 -179.352 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' O ' HG22 ' A' ' 29' ' ' THR . . . -62.23 -50.6 71.13 Favored 'General case' 0 C--O 1.238 0.47 0 CA-C-O 121.141 0.496 . . . . 0.0 110.23 176.711 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -65.05 -41.14 95.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.32 176.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -66.25 -42.16 88.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.396 -176.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 t -66.93 -32.91 74.48 Favored 'General case' 0 N--CA 1.463 0.218 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -177.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -60.78 -46.05 92.0 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.476 0.655 . . . . 0.0 109.46 172.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 52.3 t80 -65.96 -25.35 67.07 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.989 -178.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 40' ' ' ASN . 50.5 tp -107.67 7.36 28.47 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.036 -174.239 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.55 ' HD3' ' O ' ' A' ' 33' ' ' LYS . 14.4 tmtt? -97.16 -17.55 19.84 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.19 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.2 mmtp -50.34 -65.09 0.62 Allowed 'General case' 0 N--CA 1.467 0.404 0 CA-C-N 115.848 -0.615 . . . . 0.0 111.799 -173.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.1 OUTLIER -89.6 -1.23 57.96 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.396 179.103 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 82.0 t80 71.52 81.9 0.15 Allowed 'General case' 0 C--O 1.232 0.14 0 CA-C-N 115.235 -0.893 . . . . 0.0 110.238 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.8 m -135.61 4.25 3.08 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.911 175.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.491 ' O ' HG22 ' A' ' 41' ' ' VAL . . . -65.16 -3.58 3.98 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.843 0.683 . . . . 0.0 112.843 -173.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.43 -17.99 60.71 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.836 -176.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.689 HD21 HD21 ' A' ' 32' ' ' LEU . 9.8 p30 -70.85 -38.47 73.16 Favored 'General case' 0 N--CA 1.464 0.272 0 N-CA-C 110.066 -0.346 . . . . 0.0 110.066 178.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.559 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.8 m -76.67 -25.65 16.11 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.206 0 N-CA-C 110.196 -0.298 . . . . 0.0 110.196 178.006 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 58.4 m -63.9 -46.22 85.84 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 172.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -56.05 -42.62 76.86 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.986 173.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 65.8 t90 -61.69 -44.16 97.47 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.082 178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.559 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 99.5 mttt -57.55 -49.11 77.44 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.947 0.403 . . . . 0.0 110.309 177.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.412 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -58.65 -49.24 78.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.962 -177.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.503 ' SG ' ' HG2' ' A' ' 106' ' ' GLN . 52.1 t -66.47 -34.6 78.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.829 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.475 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 5.5 tm-20 -67.09 -39.54 86.77 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.346 -0.612 . . . . 0.0 109.346 178.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.449 ' HD2' ' OE2' ' A' ' 64' ' ' GLU . 31.2 ttm180 -69.18 -34.87 75.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.445 0.641 . . . . 0.0 109.673 176.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -64.74 -40.66 95.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.984 -178.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -77.79 -11.24 59.86 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.014 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 55.9 mt-30 -77.73 -12.91 60.02 Favored 'General case' 0 N--CA 1.466 0.325 0 CA-C-O 120.795 0.331 . . . . 0.0 110.681 175.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 64.2 mt -75.11 123.89 89.09 Favored Pre-proline 0 CA--C 1.535 0.372 0 N-CA-C 109.658 -0.497 . . . . 0.0 109.658 177.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -73.81 26.59 0.32 Allowed 'Trans proline' 0 CA--C 1.537 0.644 0 C-N-CA 122.994 2.463 . . . . 0.0 114.155 -172.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 61' ' ' LEU . . . 72.64 -35.3 0.32 Allowed 'General case' 0 N--CA 1.474 0.765 0 N-CA-C 113.003 0.742 . . . . 0.0 113.003 175.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 p -54.58 -46.03 73.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.12 0.485 . . . . 0.0 110.987 -178.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -78.39 69.27 4.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.114 179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.556 ' HA ' HD12 ' A' ' 61' ' ' LEU . 24.6 m -61.23 -36.69 80.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.557 -178.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -60.84 -42.19 97.3 Favored 'General case' 0 CA--C 1.531 0.243 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.568 175.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -68.17 -36.61 79.91 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-N 116.184 -0.462 . . . . 0.0 109.986 179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 55' ' ' ALA . 84.6 mt -58.24 -51.28 70.44 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.021 174.146 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 97' ' ' PRO . . . -57.9 -44.64 86.89 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.045 -179.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -63.21 -53.31 55.06 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.066 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' OE2' ' HD2' ' A' ' 49' ' ' ARG . 7.9 tp10 -60.15 -46.0 91.14 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.925 0.393 . . . . 0.0 110.092 -178.323 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.65 -39.81 77.87 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.608 178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -64.74 -37.1 86.44 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.529 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 54.1 m-80 -64.62 -58.66 5.72 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.412 HG12 ' HB1' ' A' ' 46' ' ' ALA . 64.6 mt -51.27 -41.47 24.91 Favored 'Isoleucine or valine' 0 C--O 1.234 0.262 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.273 179.263 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.455 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 69.1 t80 -58.84 -62.9 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.745 179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.495 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 28.3 mt-30 -74.66 -11.29 60.15 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.933 0.716 . . . . 0.0 112.933 -170.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.576 ' HA ' HD13 ' A' ' 78' ' ' LEU . 50.3 mt-10 -99.85 -45.59 5.67 Favored 'General case' 0 C--O 1.235 0.336 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 -179.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.532 ' O ' ' HA ' ' A' ' 80' ' ' PRO . 43.8 m-85 -118.04 -10.13 10.42 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 112.445 0.535 . . . . 0.0 112.445 -170.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 65.2 mt -133.07 5.62 3.86 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 112.77 0.655 . . . . 0.0 112.77 -170.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.495 ' HB3' ' HA ' ' A' ' 70' ' ' GLN . 11.8 p -83.91 166.8 17.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.539 0.209 . . . . 0.0 110.521 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 51.1 p -56.66 -51.61 68.08 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.996 0.427 . . . . 0.0 110.866 -178.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 73.9 mt-30 -106.51 44.87 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.527 178.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.37 153.12 7.66 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.193 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.576 HD13 ' HA ' ' A' ' 71' ' ' GLU . 6.5 mp -61.89 -33.08 73.56 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.503 0.668 . . . . 0.0 109.405 177.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.7 t -159.85 97.61 1.53 Allowed Pre-proline 0 C--N 1.327 -0.391 0 CA-C-N 114.806 -1.088 . . . . 0.0 108.538 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.532 ' HA ' ' O ' ' A' ' 72' ' ' PHE . 85.9 Cg_endo -75.48 36.58 0.47 Allowed 'Trans proline' 0 C--N 1.35 0.622 0 C-N-CA 122.949 2.432 . . . . 0.0 113.124 -175.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 40' ' ' ASN . 0.9 OUTLIER 29.57 -94.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 C-N-CA 124.003 0.921 . . . . 0.0 112.951 -176.053 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.459 ' H ' HG23 ' A' ' 81' ' ' VAL . 5.5 t30 -169.56 -91.19 0.01 OUTLIER 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 176.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 26.3 pt 34.2 -157.66 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.356 1.063 . . . . 0.0 113.401 178.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -112.19 90.93 3.48 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.408 -0.589 . . . . 0.0 109.408 177.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.547 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 77.0 mtm-85 -85.63 -19.17 31.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -174.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -78.37 -36.89 45.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.132 0.491 . . . . 0.0 109.868 178.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -97.87 22.2 9.55 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.445 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.563 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 18.4 t90 -83.64 178.45 7.96 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.665 -176.645 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.511 ' H ' HD12 ' A' ' 89' ' ' LEU . 5.1 mp -66.28 -74.42 0.11 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 120.912 0.387 . . . . 0.0 110.481 -178.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.21 -122.09 7.46 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.219 -0.515 . . . . 0.0 112.816 178.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -62.69 -25.14 68.01 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 122.843 0.457 . . . . 0.0 111.604 -173.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.46 -27.0 67.19 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.126 0.488 . . . . 0.0 109.92 -177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.633 HG13 ' SD ' ' A' ' 101' ' ' MET . 76.7 t -67.57 -43.93 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.851 -179.773 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.8 mm? -78.69 -22.23 47.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.348 -177.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -80.85 -49.5 10.99 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.385 -179.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.453 ' HB3' ' NH1' ' A' ' 98' ' ' ARG . 45.4 mt-10 -134.48 96.97 14.83 Favored Pre-proline 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.945 -176.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.529 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 86.3 Cg_endo -81.24 146.76 15.9 Favored 'Trans proline' 0 CA--C 1.534 0.515 0 C-N-CA 122.357 2.038 . . . . 0.0 112.062 177.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH1' ' HB3' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -157.08 147.98 16.46 Favored Pre-proline 0 N--CA 1.465 0.317 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 178.486 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.41 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 73.5 Cg_endo -72.1 28.62 0.26 Allowed 'Trans proline' 0 N--CA 1.48 0.713 0 C-N-CA 123.023 2.482 . . . . 0.0 113.68 -174.482 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -124.24 -91.51 0.54 Allowed 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 176.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.633 ' SD ' HG13 ' A' ' 93' ' ' VAL . 52.3 ttm 42.68 -86.59 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 168.59 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.474 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 48.4 m-85 -73.78 -17.18 61.12 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 111.91 0.337 . . . . 0.0 111.91 -169.119 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.614 ' HA ' ' HG2' ' A' ' 106' ' ' GLN . 2.9 ppt_? -56.89 -23.86 47.68 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -172.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.408 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -71.95 -38.52 69.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 0.0 110.332 176.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.408 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 2.1 mp0 -76.0 -43.68 43.13 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.556 179.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.614 ' HG2' ' HA ' ' A' ' 103' ' ' ARG . 0.0 OUTLIER -59.69 -35.85 75.31 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.282 0.563 . . . . 0.0 109.72 -178.67 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 22.3 tp -69.68 -26.28 64.3 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.408 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -73.13 -33.2 65.39 Favored 'General case' 0 CA--C 1.531 0.246 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 178.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.8 mp -63.41 -45.53 97.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 170.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.402 ' CZ ' ' HB3' ' A' ' 16' ' ' GLU . 50.3 t80 -54.56 -57.53 11.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 114.824 -1.08 . . . . 0.0 110.612 179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -62.31 -25.57 67.95 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.551 -177.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 5.8 tt -65.15 -56.81 10.75 Favored 'General case' 0 C--O 1.234 0.281 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.434 ' HA ' ' HB3' ' A' ' 116' ' ' ASP . 24.4 mmt -77.32 -16.98 58.68 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.91 -178.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 59.4 tttm -57.52 -23.1 48.37 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.297 0.639 . . . . 0.0 111.235 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -127.21 22.65 6.57 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.734 177.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.434 ' HB3' ' HA ' ' A' ' 113' ' ' MET . 26.2 t70 -136.04 -90.94 0.28 Allowed 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.022 -178.542 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 49.3 m -63.67 -40.83 97.81 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-O 120.557 0.218 . . . . 0.0 110.824 -176.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -59.11 -43.76 91.94 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.488 175.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -59.68 -44.03 93.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.641 -0.709 . . . . 0.0 111.313 -176.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.561 ' HA ' ' HE2' ' A' ' 123' ' ' LYS . 51.9 ttt-85 -76.93 -43.36 35.68 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 120.962 -0.295 . . . . 0.0 110.828 -178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 93.1 t80 -51.19 -50.12 59.65 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.509 -176.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 33.9 m -71.24 -16.42 19.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 N-CA-C 112.169 0.433 . . . . 0.0 112.169 -174.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.561 ' HE2' ' HA ' ' A' ' 120' ' ' ARG . 64.6 pttt -104.36 -2.22 25.78 Favored 'General case' 0 N--CA 1.465 0.318 0 C-N-CA 121.058 -0.257 . . . . 0.0 110.984 179.052 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.8 m -78.89 144.68 64.46 Favored Pre-proline 0 CA--C 1.534 0.336 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 177.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo -55.3 -29.31 66.9 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 122.6 2.2 . . . . 0.0 111.766 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.8 tt -51.06 -42.43 60.54 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.33 176.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -63.13 -60.62 3.18 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.705 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -63.36 -22.16 66.71 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.301 -177.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -67.55 -31.33 71.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.894 0.378 . . . . 0.0 110.149 178.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 42.3 t -74.02 -47.53 36.32 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.043 176.476 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.18 -39.3 94.24 Favored 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.195 -179.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 8.3 mp -101.07 20.75 15.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.983 -176.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -50.34 -42.09 52.45 Favored 'General case' 0 N--CA 1.467 0.421 0 O-C-N 123.505 0.503 . . . . 0.0 111.287 -178.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -123.1 73.05 1.13 Allowed 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 175.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -176.69 -67.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.24 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 . . . . . 0 N--CA 1.468 0.425 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.958 -175.624 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.825 0 CA-C-O 120.617 0.246 . . . . 0.0 110.487 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.5 ptp -178.29 -36.67 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 120.909 0.385 . . . . 0.0 110.252 -178.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.1 m -84.88 60.63 6.32 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 121.319 0.581 . . . . 0.0 110.754 -178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -129.82 -172.71 2.84 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.794 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 71.09 -68.37 0.22 Allowed 'General case' 0 N--CA 1.469 0.522 0 O-C-N 123.928 0.768 . . . . 0.0 111.122 -176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.423 HE21 ' HG2' ' A' ' 22' ' ' PRO . 24.5 mp0 64.5 115.69 0.02 OUTLIER Pre-proline 0 N--CA 1.467 0.396 0 O-C-N 123.758 0.661 . . . . 0.0 111.491 -177.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_endo -73.09 69.76 3.84 Favored 'Trans proline' 0 C--N 1.35 0.655 0 C-N-CA 122.448 2.098 . . . . 0.0 111.177 176.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' ' CE2' ' A' ' 11' ' ' TRP . 32.9 m -55.26 -42.35 65.77 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-N 115.313 -0.858 . . . . 0.0 112.426 -173.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -72.04 -10.9 60.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.845 0.355 . . . . 0.0 111.354 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.1 m -90.75 -7.15 53.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.405 -177.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.566 ' CE2' ' HA ' ' A' ' 8' ' ' VAL . 51.7 m0 -59.19 -42.2 90.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 120.922 0.391 . . . . 0.0 110.435 -179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.07 3.47 3.41 Favored 'General case' 0 CA--C 1.532 0.28 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.044 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.9 mt -93.89 -21.05 19.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.416 0.151 . . . . 0.0 110.911 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.6 t -172.76 137.37 0.77 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 -178.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.418 ' CE2' HD22 ' A' ' 19' ' ' LEU . 15.4 t80 -58.3 -41.15 83.84 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.01 178.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -50.55 -43.36 56.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.829 174.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' A' ' 21' ' ' ASP . 8.3 tpm_? -69.12 -35.72 76.7 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 120.795 0.331 . . . . 0.0 110.886 -177.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 39.9 tp -71.94 -40.47 68.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.601 0.715 . . . . 0.0 110.592 176.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.672 HD12 ' HG ' ' A' ' 25' ' ' LEU . 20.6 tp -85.57 -25.13 26.9 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.375 -168.722 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 82.1 mm-40 -92.91 13.98 18.93 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 120.98 0.419 . . . . 0.0 110.294 176.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 17' ' ' ARG . 11.4 t70 -109.08 132.37 21.25 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.361 -177.153 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.423 ' HG2' HE21 ' A' ' 6' ' ' GLN . 51.6 Cg_exo -56.62 -51.3 9.43 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.599 2.199 . . . . 0.0 112.365 178.239 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 88.0 mt -75.37 -36.81 60.88 Favored 'General case' 0 C--O 1.235 0.33 0 CA-C-O 121.082 0.468 . . . . 0.0 109.786 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -56.17 -62.11 6.7 Favored Glycine 0 N--CA 1.446 -0.657 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.813 177.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.672 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.5 OUTLIER -60.7 -33.52 72.99 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 110.399 -0.223 . . . . 0.0 110.399 -179.195 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.81 -55.36 30.79 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-O 120.957 0.408 . . . . 0.0 111.375 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -75.65 -26.55 57.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.65 -179.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -65.52 -49.33 69.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.247 177.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 14.9 t -68.25 -26.41 65.67 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 120.61 0.243 . . . . 0.0 110.433 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -65.36 -53.97 35.67 Favored 'General case' 0 C--O 1.235 0.308 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 176.285 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.549 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 45.1 t80 -70.34 -29.4 66.09 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.731 -178.075 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.768 ' HG ' ' HA ' ' A' ' 38' ' ' ALA . 34.2 tp -85.59 11.2 11.22 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.595 0.712 . . . . 0.0 110.889 -179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -110.32 -5.37 15.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 121.813 -0.554 . . . . 0.0 110.442 176.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 31' ' ' PHE . 59.6 mttm -74.51 -41.58 60.41 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.139 -174.232 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -86.89 -8.14 57.55 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.87 -0.789 . . . . 0.0 108.87 171.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 57.1 t80 72.26 75.62 0.16 Allowed 'General case' 0 C--O 1.233 0.199 0 CA-C-N 114.312 -1.313 . . . . 0.0 111.646 176.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 42.7 p -148.54 8.22 0.78 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.942 170.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.768 ' HA ' ' HG ' ' A' ' 32' ' ' LEU . . . -52.75 -27.12 16.38 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 112.755 0.65 . . . . 0.0 112.755 -175.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' SER . 40.1 mt-10 -67.66 -9.13 40.62 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -171.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.757 HD21 HD21 ' A' ' 32' ' ' LEU . 6.4 p30 -66.9 -43.24 83.89 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 109.592 -0.521 . . . . 0.0 109.592 174.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 38' ' ' ALA . 28.2 m -79.57 -19.17 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.165 0 CA-C-O 120.846 0.355 . . . . 0.0 110.176 178.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.492 ' HA ' ' HG2' ' A' ' 45' ' ' LYS . 23.5 m -68.48 -40.55 80.92 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 172.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -58.94 -44.39 91.41 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.691 173.189 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.407 ' CD1' ' HG2' ' A' ' 106' ' ' GLN . 91.4 t90 -59.62 -58.76 7.17 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.946 179.291 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.492 ' HG2' ' HA ' ' A' ' 42' ' ' THR . 19.7 ptpt -60.79 -39.0 87.23 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.843 -176.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.63 -42.36 98.77 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.172 179.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.616 ' SG ' ' HB2' ' A' ' 102' ' ' PHE . 42.0 t -68.79 -41.52 78.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.137 -179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.634 ' HG3' HE21 ' A' ' 51' ' ' GLN . 38.0 tt0 -70.89 -27.28 63.69 Favored 'General case' 0 C--O 1.235 0.302 0 CA-C-O 120.999 0.428 . . . . 0.0 110.799 -177.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.41 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 8.0 tmm_? -84.46 -22.63 30.24 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.369 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -71.4 -40.49 70.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.683 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.634 HE21 ' HG3' ' A' ' 48' ' ' GLU . 29.3 pt20 -72.82 -1.43 16.62 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 111.093 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -76.48 -19.07 58.38 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-O 120.953 0.406 . . . . 0.0 110.191 175.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 67.7 mt -69.16 122.13 84.27 Favored Pre-proline 0 CA--C 1.534 0.328 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.611 178.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -67.76 20.42 0.12 Allowed 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 123.299 2.666 . . . . 0.0 114.146 -175.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . 73.79 -31.84 0.23 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.33 0.652 . . . . 0.0 112.581 176.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.2 m -49.55 -49.78 44.81 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 122.867 0.467 . . . . 0.0 111.984 -177.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -87.63 92.17 9.0 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.014 0.435 . . . . 0.0 110.169 -176.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' HA ' HD12 ' A' ' 61' ' ' LEU . 19.2 m -71.17 -27.89 63.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.91 -177.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -64.57 -49.77 69.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.337 178.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 65.6 tt0 -59.25 -40.36 85.72 Favored 'General case' 0 N--CA 1.462 0.133 0 CA-C-N 115.98 -0.555 . . . . 0.0 109.858 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 58' ' ' THR . 85.5 mt -55.8 -49.3 73.59 Favored 'General case' 0 CA--C 1.527 0.093 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.357 175.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.433 ' HA ' ' HG3' ' A' ' 97' ' ' PRO . . . -62.7 -40.77 98.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.315 -178.537 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -63.39 -52.42 61.7 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.037 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -69.96 -37.23 75.74 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.078 -177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.97 -46.35 88.15 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.739 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 -64.33 -36.19 83.32 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.262 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -56.41 -58.73 6.75 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.893 176.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 72.1 mt -54.58 -45.14 71.45 Favored 'Isoleucine or valine' 0 C--O 1.235 0.34 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.501 179.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 56.7 t80 -55.21 -55.96 25.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.214 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.85 ' HA ' ' HB2' ' A' ' 74' ' ' SER . 73.5 mt-30 -70.5 -21.79 62.72 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.494 0.553 . . . . 0.0 112.494 -171.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -84.9 -47.75 10.0 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.787 -0.365 . . . . 0.0 111.759 -178.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -108.68 -15.28 14.45 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.726 0.639 . . . . 0.0 112.726 -169.361 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -133.56 11.16 4.07 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.9 0.704 . . . . 0.0 112.9 -170.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.85 ' HB2' ' HA ' ' A' ' 70' ' ' GLN . 31.5 t -93.79 88.43 5.78 Favored 'General case' 0 C--N 1.329 -0.293 0 O-C-N 122.071 -0.393 . . . . 0.0 111.019 -179.324 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.5 m 50.79 -85.02 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.559 -0.746 . . . . 0.0 112.115 177.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 74' ' ' SER . 83.8 mm-40 -79.02 -52.54 8.09 Favored 'General case' 0 C--O 1.234 0.24 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 63.44 163.35 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.67 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.436 ' N ' HD12 ' A' ' 78' ' ' LEU . 6.3 mp -74.59 -42.33 58.9 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 108.918 -0.771 . . . . 0.0 108.918 176.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.509 ' HB2' ' HB2' ' A' ' 39' ' ' GLU . 70.0 m -150.0 93.23 3.96 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 115.036 -0.983 . . . . 0.0 109.338 174.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -65.98 108.69 1.35 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.384 2.056 . . . . 0.0 111.953 -179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.442 ' HB ' HD11 ' A' ' 109' ' ' ILE . 7.4 m -62.72 130.94 27.88 Favored 'Isoleucine or valine' 0 C--O 1.236 0.356 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.757 177.594 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 75.9 m-20 -79.7 75.1 6.38 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.095 -177.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.425 HD12 ' HG2' ' A' ' 105' ' ' GLN . 25.1 pt -118.78 -176.26 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.296 -0.866 . . . . 0.0 108.839 175.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 47.0 m-20 -69.68 84.38 0.45 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-O 120.988 0.423 . . . . 0.0 109.864 178.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.52 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 38.4 mtm180 -84.37 -31.47 24.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.132 -178.54 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 56.8 tp60 -58.33 -48.54 80.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.453 -179.04 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -102.39 20.62 16.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.595 -0.73 . . . . 0.0 111.16 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.52 ' HB2' ' HA ' ' A' ' 85' ' ' ARG . 15.4 t90 -69.36 163.16 25.79 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.562 0.22 . . . . 0.0 110.479 -177.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 mt -51.82 -65.4 0.56 Allowed 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.812 -177.55 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 95.94 -141.41 15.57 Favored Glycine 0 CA--C 1.517 0.218 0 CA-C-N 115.739 -0.664 . . . . 0.0 113.534 175.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.571 ' HA ' HD23 ' A' ' 94' ' ' LEU . 32.8 tt0 -59.46 -21.9 60.74 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 123.721 0.808 . . . . 0.0 112.258 -173.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -63.35 -28.54 70.07 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.06 0.457 . . . . 0.0 110.319 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.574 HG22 ' HE2' ' A' ' 101' ' ' MET . 96.3 t -64.13 -38.56 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.538 -0.756 . . . . 0.0 110.839 -179.455 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.571 HD23 ' HA ' ' A' ' 91' ' ' GLU . 2.9 mm? -71.8 -23.03 61.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.567 -176.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -81.27 -75.78 0.27 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.74 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -123.39 90.27 50.59 Favored Pre-proline 0 C--O 1.234 0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.087 -176.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' HA ' ' SD ' ' A' ' 101' ' ' MET . 89.7 Cg_endo -86.12 171.0 8.1 Favored 'Trans proline' 0 C--O 1.236 0.399 0 C-N-CA 122.856 2.371 . . . . 0.0 112.457 179.099 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 11.8 ptt180 -149.5 154.39 38.19 Favored Pre-proline 0 C--N 1.328 -0.363 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 178.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -59.88 -29.49 89.6 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.364 2.043 . . . . 0.0 111.961 -178.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -105.38 69.02 0.82 Allowed 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -178.612 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.574 ' HE2' HG22 ' A' ' 93' ' ' VAL . 9.9 ttt -126.53 -53.81 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.676 -173.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.616 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 52.4 m-85 -84.14 -15.8 45.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.033 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -51.88 -31.63 28.98 Favored 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.577 0.548 . . . . 0.0 111.814 -174.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.78 -50.74 69.85 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.062 0.458 . . . . 0.0 110.703 177.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.516 ' NE2' ' H ' ' A' ' 105' ' ' GLN . 1.8 mp0 -74.77 -25.95 59.43 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.146 -179.801 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . 0.441 ' HB2' ' SG ' ' A' ' 47' ' ' CYS . 14.9 tt0 -55.17 -55.45 31.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.315 178.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 32.4 tp -67.49 -24.39 65.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.728 -177.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.447 ' OE1' ' HA ' ' A' ' 108' ' ' GLN . 6.3 tp60 -67.59 -39.11 84.83 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 178.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.442 HD11 ' HB ' ' A' ' 81' ' ' VAL . 25.3 mm -63.94 -43.03 97.59 Favored 'Isoleucine or valine' 0 C--O 1.236 0.378 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.814 173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.441 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 46.4 t80 -53.29 -51.59 61.81 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.99 176.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.54 -37.93 88.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.09 -178.658 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.28 -51.31 70.32 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.41 -177.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.696 ' HB3' ' HB2' ' A' ' 117' ' ' SER . 23.9 mmt -88.62 -7.2 56.8 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.27 -176.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 87.7 tttt -59.64 -21.59 60.69 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.394 -177.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -123.43 16.31 9.69 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.605 -179.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -140.6 -85.03 0.21 Allowed 'General case' 0 N--CA 1.467 0.377 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.076 -172.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.696 ' HB2' ' HB3' ' A' ' 113' ' ' MET . 68.2 m -59.94 -33.17 71.54 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-O 120.712 0.291 . . . . 0.0 110.372 -179.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.416 ' HB2' ' CD1' ' A' ' 15' ' ' PHE . 21.4 t80 -53.39 -56.9 12.98 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.167 170.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.74 81.79 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.384 -179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 8.9 tpm_? -54.94 -63.76 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.833 179.418 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -62.23 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.672 -172.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 24.7 m -67.69 -12.45 15.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.367 0 N-CA-C 111.826 0.306 . . . . 0.0 111.826 -174.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 51.5 mtmt -105.82 -11.45 16.24 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.751 0.31 . . . . 0.0 111.158 177.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . 0.467 ' HB3' ' HD2' ' A' ' 125' ' ' PRO . 50.3 m -97.22 172.25 5.17 Favored Pre-proline 0 CA--C 1.538 0.495 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.038 -177.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 124' ' ' SER . 52.5 Cg_exo -56.01 -177.73 0.06 OUTLIER 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.788 2.325 . . . . 0.0 112.993 174.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.439 ' HB2' ' O ' ' A' ' 125' ' ' PRO . 94.6 mt 75.41 -44.4 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.899 0.88 . . . . 0.0 111.377 -178.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -52.8 -61.82 2.05 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.739 -0.209 . . . . 0.0 110.798 179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 7.2 ppt_? -70.52 -23.52 62.66 Favored 'General case' 0 C--O 1.236 0.353 0 C-N-CA 120.846 -0.342 . . . . 0.0 111.223 -175.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.88 -31.92 73.14 Favored 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 173.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 77.0 m -77.73 -25.91 49.62 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.677 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.523 ' HA ' HG21 ' A' ' 8' ' ' VAL . 8.9 mp -60.38 -42.65 96.29 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 116.574 -0.284 . . . . 0.0 110.51 175.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.516 HD22 ' H ' ' A' ' 135' ' ' ALA . 2.0 tt 66.95 -73.67 0.07 Allowed 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.69 0.619 . . . . 0.0 110.089 177.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 73.67 -40.15 0.45 Allowed 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 123.754 0.821 . . . . 0.0 112.816 176.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -65.71 -19.19 65.8 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-O 120.971 0.415 . . . . 0.0 111.259 -176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.516 ' H ' HD22 ' A' ' 132' ' ' LEU . . . -148.06 130.21 15.48 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.699 -177.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 115.494 -0.776 . . . . 0.0 110.486 179.447 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 2' ' ' MET . 1.5 mpt? -63.07 -31.57 72.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.074 0.464 . . . . 0.0 110.071 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 m -78.23 111.32 14.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.519 -0.764 . . . . 0.0 110.157 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -80.05 -36.13 36.13 Favored 'General case' 0 C--O 1.234 0.254 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.678 179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' O ' ' HD3' ' A' ' 7' ' ' PRO . 39.0 mt-10 -109.96 115.95 30.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.674 -177.092 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.585 ' HB3' ' HB3' ' A' ' 9' ' ' ALA . 1.7 mp0 -98.54 100.42 9.33 Favored Pre-proline 0 C--O 1.235 0.315 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 175.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.489 ' HD3' ' O ' ' A' ' 5' ' ' GLU . 6.2 Cg_exo -78.91 -68.1 0.02 OUTLIER 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.912 2.408 . . . . 0.0 111.803 -178.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.523 HG23 HD12 ' A' ' 131' ' ' LEU . 33.6 m -65.9 -17.18 21.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.757 -0.656 . . . . 0.0 112.251 -174.236 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB3' ' HB3' ' A' ' 6' ' ' GLN . . . -73.53 -8.12 54.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.702 0.286 . . . . 0.0 111.477 -177.481 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 70.6 p -77.4 -15.15 59.51 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-O 120.853 0.358 . . . . 0.0 110.655 178.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.55 ' HB3' HD12 ' A' ' 18' ' ' LEU . 54.5 m0 -56.95 -51.12 70.41 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.991 -179.376 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.92 -6.07 20.11 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.339 -178.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 74.1 mt -93.88 -35.78 12.53 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 110.245 -0.28 . . . . 0.0 110.245 177.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 m -149.4 116.79 6.11 Favored 'General case' 0 C--O 1.238 0.496 0 CA-C-O 121.334 0.587 . . . . 0.0 111.395 -179.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -60.27 -44.35 95.4 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.184 -0.916 . . . . 0.0 110.85 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -52.23 -42.75 63.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.193 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 61.5 ttt180 -64.94 -51.13 63.49 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.427 179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.55 HD12 ' HB3' ' A' ' 11' ' ' TRP . 4.6 tt -52.67 -48.53 66.43 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.488 0.661 . . . . 0.0 110.203 177.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.579 HD12 ' HG ' ' A' ' 25' ' ' LEU . 46.2 tp -71.32 -26.88 63.03 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.943 -1.026 . . . . 0.0 111.454 -175.245 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.413 HE21 ' HB2' ' A' ' 20' ' ' GLN . 7.8 tt0 -97.46 -4.92 37.21 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.881 0.372 . . . . 0.0 110.992 -178.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -94.04 134.37 26.09 Favored Pre-proline 0 N--CA 1.466 0.337 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -58.77 -44.8 33.31 Favored 'Trans proline' 0 C--N 1.35 0.628 0 C-N-CA 122.378 2.052 . . . . 0.0 112.759 -177.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tt -69.91 -42.26 73.58 Favored 'General case' 0 C--O 1.238 0.5 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -178.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -61.33 -55.22 30.4 Favored Glycine 0 N--CA 1.452 -0.29 0 CA-C-N 115.534 -0.757 . . . . 0.0 112.297 179.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.579 ' HG ' HD12 ' A' ' 19' ' ' LEU . 0.3 OUTLIER -61.21 -31.17 70.94 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.175 -0.306 . . . . 0.0 110.175 -179.713 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.445 ' O ' HG22 ' A' ' 29' ' ' THR . . . -56.77 -58.34 8.54 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-O 120.93 0.395 . . . . 0.0 110.893 179.545 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -69.15 -36.32 77.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.819 0.343 . . . . 0.0 110.799 -178.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.0 t80 -64.44 -44.73 90.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -178.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 26' ' ' ALA . 5.7 t -70.52 -26.73 63.72 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.12 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 32.0 mm-40 -75.66 -41.68 53.35 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.093 177.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.486 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 51.5 t80 -76.91 -35.45 57.36 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.681 0.277 . . . . 0.0 110.78 -176.766 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 25.6 tp -74.82 6.35 4.09 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.691 0.758 . . . . 0.0 110.353 178.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -106.7 -5.45 18.54 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.518 -0.765 . . . . 0.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HG2' ' O ' ' A' ' 31' ' ' PHE . 74.5 mmtt -70.18 -60.05 2.52 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.196 0.522 . . . . 0.0 110.009 -177.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 35' ' ' GLU . 0.3 OUTLIER -84.8 -13.84 49.9 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 176.071 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 83.1 t80 78.34 86.2 0.07 Allowed 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.815 174.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 66.2 m -144.52 15.71 1.63 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 114.805 -1.089 . . . . 0.0 108.837 172.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.54 5.58 2.3 Favored 'General case' 0 C--O 1.233 0.206 0 CA-C-N 115.035 -0.984 . . . . 0.0 111.908 -177.017 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -55.72 -41.99 74.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.465 0.65 . . . . 0.0 109.418 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 74.1 m-20 -58.65 -56.67 19.14 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 114.726 -1.124 . . . . 0.0 111.155 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 33.8 m -63.62 -42.15 95.09 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.571 -174.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.5 m -64.42 -39.45 93.86 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.001 0.429 . . . . 0.0 110.229 -178.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.535 ' HB2' HG11 ' A' ' 81' ' ' VAL . 87.4 t80 -63.84 -42.38 97.6 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.182 175.214 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . . . . . . . . . 70.1 t90 -59.91 -43.96 94.58 Favored 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.131 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 94.5 mttt -59.52 -49.94 75.85 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 177.526 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.601 ' HB1' HG12 ' A' ' 68' ' ' ILE . . . -59.51 -42.23 91.73 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.301 -177.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 74.9 m -68.25 -35.15 77.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.905 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.476 ' O ' ' HG3' ' A' ' 52' ' ' GLN . 34.9 tt0 -68.3 -37.23 80.41 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-O 121.007 0.432 . . . . 0.0 109.836 176.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.443 ' HA ' ' NE2' ' A' ' 52' ' ' GLN . 18.8 mtp180 -58.89 -40.2 83.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.503 174.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 83.1 t80 -60.54 -43.84 96.74 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.102 -177.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -78.64 1.6 22.24 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.687 -176.251 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 48' ' ' GLU . 25.6 mt-30 -81.82 -17.47 47.37 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.926 0.393 . . . . 0.0 110.826 177.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.603 HD11 ' HG3' ' A' ' 64' ' ' GLU . 63.2 mt -85.75 139.99 35.44 Favored Pre-proline 0 CA--C 1.536 0.43 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.31 -174.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 53' ' ' ILE . 19.3 Cg_exo -67.42 151.29 80.43 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 122.734 2.29 . . . . 0.0 112.104 174.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.652 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . -60.92 -23.16 65.04 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.519 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.6 m -66.37 -42.35 88.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.275 -179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -87.18 79.51 8.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.394 0.616 . . . . 0.0 110.662 -175.565 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.416 ' HA ' HD12 ' A' ' 61' ' ' LEU . 26.2 m -70.95 -35.72 72.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.5 -177.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -69.01 -37.79 78.88 Favored 'General case' 0 C--O 1.234 0.288 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 179.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.495 ' HG2' HD13 ' A' ' 53' ' ' ILE . 52.4 tt0 -63.57 -45.06 92.18 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 176.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 58' ' ' THR . 60.3 mt -53.43 -47.67 69.45 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.291 173.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.79 -40.49 84.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.258 -178.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.465 HE21 ' HA ' ' A' ' 60' ' ' GLN . 50.9 mt-30 -62.54 -50.48 71.18 Favored 'General case' 0 C--O 1.237 0.398 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.184 -178.316 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.603 ' HG3' HD11 ' A' ' 53' ' ' ILE . 13.7 mm-40 -63.1 -43.43 98.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.12 178.063 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.54 -42.81 83.69 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.683 178.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -64.33 -35.37 80.65 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.464 178.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -67.01 -45.57 77.15 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.236 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.601 HG12 ' HB1' ' A' ' 46' ' ' ALA . 46.7 mt -61.94 -43.92 98.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.488 0.661 . . . . 0.0 109.765 176.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.566 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.3 t80 -61.1 -63.41 1.3 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 114.983 -1.008 . . . . 0.0 110.928 -177.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 50.6 mt-30 -82.03 53.37 2.2 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.409 -173.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' C ' ' HB1' ' A' ' 77' ' ' ALA . 29.1 tt0 -175.17 -29.36 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.923 178.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -125.01 -17.89 5.64 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.575 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.3 mt -125.04 -19.79 5.09 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 112.809 0.67 . . . . 0.0 112.809 -167.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.2 p -78.4 160.9 27.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.868 0.366 . . . . 0.0 111.31 -177.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 p -63.96 -25.46 68.14 Favored 'General case' 0 C--O 1.235 0.294 0 CA-C-O 121.22 0.533 . . . . 0.0 110.557 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.9 tt0 -116.17 51.78 0.95 Allowed 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 175.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.491 ' O ' ' HB2' ' A' ' 78' ' ' LEU . . . -80.55 -22.09 41.14 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.14 -0.937 . . . . 0.0 112.009 -176.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 77' ' ' ALA . 9.5 mp 74.99 -27.91 0.19 Allowed 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.635 0.774 . . . . 0.0 111.061 -174.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.402 ' H ' ' C ' ' A' ' 77' ' ' ALA . 7.6 m -145.94 73.98 13.41 Favored Pre-proline 0 CA--C 1.535 0.367 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 175.074 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -73.8 107.7 2.47 Favored 'Trans proline' 0 C--N 1.35 0.637 0 C-N-CA 122.874 2.383 . . . . 0.0 112.174 -177.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.535 HG11 ' HB2' ' A' ' 43' ' ' PHE . 34.9 m -67.36 158.83 5.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.353 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.176 -178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -102.82 108.24 19.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.061 0.458 . . . . 0.0 111.917 -174.201 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' N ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -133.84 -153.01 0.12 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.251 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 169.557 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -57.31 -54.49 46.24 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 118.071 0.396 . . . . 0.0 110.588 -176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 56.57 12.72 1.15 Allowed 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 175.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -121.2 -31.73 4.05 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 121.087 0.47 . . . . 0.0 110.514 -177.431 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -120.36 27.5 8.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 174.521 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 0.6 OUTLIER -62.47 163.83 8.23 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 114.84 -1.073 . . . . 0.0 111.078 -175.372 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.07 59.89 0.76 Allowed 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.534 0.683 . . . . 0.0 110.457 -171.51 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.563 ' HA2' ' CZ3' ' A' ' 88' ' ' TRP . . . -40.03 -101.89 0.01 OUTLIER Glycine 0 CA--C 1.526 0.731 0 CA-C-N 114.081 -1.418 . . . . 0.0 116.452 -174.368 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -63.55 -27.83 69.52 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 -168.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -64.09 -30.71 71.76 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-O 120.568 0.223 . . . . 0.0 111.019 -169.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.724 HG23 ' SD ' ' A' ' 101' ' ' MET . 14.4 p -76.83 -21.95 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.303 0 CA-C-O 120.832 0.348 . . . . 0.0 110.733 -179.154 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -88.95 -23.98 22.55 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.902 0.382 . . . . 0.0 110.039 175.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.22 -65.85 0.64 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.521 179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -133.02 91.79 27.54 Favored Pre-proline 0 C--N 1.331 -0.229 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.919 177.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_endo -72.68 168.9 23.27 Favored 'Trans proline' 0 C--O 1.236 0.408 0 C-N-CA 122.498 2.132 . . . . 0.0 112.116 179.028 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.665 ' HG2' ' HB2' ' A' ' 101' ' ' MET . 6.9 ptm180 -141.66 158.19 63.45 Favored Pre-proline 0 C--N 1.325 -0.489 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -178.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.652 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 29.4 Cg_endo -64.22 97.87 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.615 0 C-N-CA 121.263 1.309 . . . . 0.0 110.065 170.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 99' ' ' PRO . 7.4 m-20 91.86 85.34 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.449 1.1 . . . . 0.0 110.727 177.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.724 ' SD ' HG23 ' A' ' 93' ' ' VAL . 22.9 ttt -126.61 -17.93 4.92 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.183 175.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -103.7 9.59 37.11 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.241 176.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.0 ttt180 -66.02 -47.51 74.22 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 120.704 0.288 . . . . 0.0 111.216 -171.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -62.58 -47.11 85.24 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.296 0.569 . . . . 0.0 110.355 178.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -61.39 -37.19 82.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.182 -0.917 . . . . 0.0 110.219 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -62.52 -47.24 84.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.18 177.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 18.8 tp -66.71 -27.64 67.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.391 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -64.64 -43.43 93.7 Favored 'General case' 0 C--O 1.235 0.307 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 177.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -62.84 -42.47 96.5 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.815 173.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.46 ' CE2' ' HD2' ' A' ' 114' ' ' LYS . 74.4 t80 -52.75 -51.45 60.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.495 178.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 -71.45 -29.7 65.17 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.738 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.07 -29.7 69.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -178.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.63 ' HB2' ' HB3' ' A' ' 117' ' ' SER . 24.4 ptt? -116.08 7.42 14.24 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-N 116.508 -0.314 . . . . 0.0 111.67 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.46 ' HD2' ' CE2' ' A' ' 110' ' ' PHE . 85.9 tttt -81.5 -12.58 58.79 Favored 'General case' 0 N--CA 1.468 0.46 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -130.91 26.52 4.95 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-O 120.878 0.37 . . . . 0.0 111.488 -173.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -162.63 -57.92 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.437 0 O-C-N 122.318 -0.239 . . . . 0.0 110.733 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.63 ' HB3' ' HB2' ' A' ' 113' ' ' MET . 33.4 t -67.85 -37.03 81.35 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 177.208 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -52.98 -50.24 64.54 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.488 170.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . 0.431 ' O ' ' HG2' ' A' ' 123' ' ' LYS . . . -65.71 -41.95 91.71 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.356 179.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.439 ' HB3' ' O ' ' A' ' 117' ' ' SER . 19.9 tpt180 -49.17 -55.18 13.21 Favored 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.926 178.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -63.26 -50.29 70.75 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.685 -0.688 . . . . 0.0 111.54 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 30.0 m -67.03 -22.33 29.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.374 0 N-CA-C 111.808 0.299 . . . . 0.0 111.808 -175.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 119' ' ' ALA . 30.8 mmtp -73.72 -37.39 65.14 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.879 0.371 . . . . 0.0 110.658 175.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 m -59.47 143.68 85.49 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.928 -177.007 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -59.24 -18.8 46.7 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 122.892 2.395 . . . . 0.0 111.883 179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.445 HD23 ' O ' ' A' ' 126' ' ' LEU . 6.0 tt -54.1 -40.53 67.37 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.627 176.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.495 ' O ' HD13 ' A' ' 131' ' ' LEU . 23.9 t80 -64.72 -35.97 82.76 Favored 'General case' 0 CA--C 1.529 0.153 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.119 179.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 74.6 mmt-85 -66.89 -41.44 87.21 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 178.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -52.22 -49.9 63.04 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 115.19 -0.914 . . . . 0.0 110.133 177.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 61.7 m -64.3 -41.52 96.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.501 -0.772 . . . . 0.0 111.226 -177.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.523 HD12 HG23 ' A' ' 8' ' ' VAL . 7.5 mp -61.08 -37.38 82.47 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.607 -178.211 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.5 mt -101.56 5.04 41.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.521 -0.309 . . . . 0.0 111.236 -178.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . 66.54 -72.74 0.08 Allowed 'General case' 0 N--CA 1.468 0.444 0 O-C-N 123.696 0.622 . . . . 0.0 111.12 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -114.92 93.85 4.5 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -164.09 134.66 4.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.067 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 C--N 1.326 -0.429 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.476 178.148 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 4.9 mpp? 63.44 -177.77 0.15 Allowed 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.801 0.441 . . . . 0.0 110.814 -174.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 30.0 m -143.98 146.97 33.27 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.748 179.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.24 139.28 42.62 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 120.76 0.314 . . . . 0.0 110.322 179.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -83.74 -63.85 1.27 Allowed 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 178.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -164.3 89.98 1.07 Allowed Pre-proline 0 C--N 1.329 -0.325 0 CA-C-N 115.221 -0.899 . . . . 0.0 108.659 179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_exo -68.95 120.18 7.1 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.679 2.253 . . . . 0.0 111.709 178.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 30.4 m -57.89 -28.37 33.1 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.156 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -57.54 -21.97 41.63 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-O 120.958 0.409 . . . . 0.0 111.357 179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -64.65 -14.7 59.33 Favored 'General case' 0 CA--C 1.533 0.297 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.547 -178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.541 ' HB3' HD12 ' A' ' 18' ' ' LEU . 43.5 m0 -64.75 -36.57 84.74 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-O 120.929 0.395 . . . . 0.0 109.973 177.063 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.55 -3.85 23.61 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.761 -173.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 85.1 mt -80.78 -36.49 31.74 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.601 179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -156.39 132.28 9.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.802 -177.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 23.7 t80 -58.92 -36.34 74.58 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 109.09 -0.708 . . . . 0.0 109.09 174.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -45.85 -56.14 5.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 114.799 -1.091 . . . . 0.0 111.318 174.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 72.9 ttt-85 -65.37 -43.92 89.25 Favored 'General case' 0 C--O 1.225 -0.227 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.758 -174.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.541 HD12 ' HB3' ' A' ' 11' ' ' TRP . 9.1 tt -62.72 -34.92 78.17 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.276 0.56 . . . . 0.0 110.235 179.491 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.93 -28.28 39.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.747 -176.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.49 HE21 ' HH2' ' A' ' 44' ' ' TRP . 65.7 mm-40 -82.94 -32.26 27.25 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.713 176.345 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 22' ' ' PRO . 12.4 t70 -77.78 125.9 85.0 Favored Pre-proline 0 N--CA 1.466 0.364 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.661 -175.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 21' ' ' ASP . 31.3 Cg_exo -59.76 -40.44 63.97 Favored 'Trans proline' 0 C--N 1.351 0.677 0 C-N-CA 122.778 2.319 . . . . 0.0 112.813 -178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.2 tt -70.48 -43.24 70.16 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 -177.256 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -60.83 -50.74 64.23 Favored Glycine 0 C--N 1.332 0.358 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.92 177.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.08 -28.36 69.73 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.44 -52.32 65.06 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 120.971 0.415 . . . . 0.0 110.762 179.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -65.68 -42.44 91.23 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.304 177.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -60.19 -48.08 83.23 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.943 -177.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.406 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 7.7 t -68.06 -28.25 67.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.597 -176.611 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' HA ' ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -65.35 -53.53 42.2 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 175.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.608 ' HB2' HD12 ' A' ' 126' ' ' LEU . 63.3 t80 -65.35 -29.25 69.96 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.722 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.428 ' CD2' ' HA ' ' A' ' 38' ' ' ALA . 13.3 tp -64.6 -18.25 64.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.477 -179.632 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' HE3' ' HA ' ' A' ' 30' ' ' GLU . 10.1 mtmp? -83.48 -4.33 58.42 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.373 178.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.464 ' HD2' ' HA ' ' A' ' 31' ' ' PHE . 0.5 OUTLIER -74.74 -61.5 1.86 Allowed 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 174.218 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -77.29 -16.12 59.12 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.951 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 70.5 t80 63.45 76.38 0.36 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.444 -178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.47 ' O ' ' ND2' ' A' ' 40' ' ' ASN . 16.8 p -144.33 42.14 1.38 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.455 -0.793 . . . . 0.0 109.78 176.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.428 ' HA ' ' CD2' ' A' ' 32' ' ' LEU . . . -79.33 12.51 2.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.608 -0.724 . . . . 0.0 112.393 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.599 ' HG2' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -85.03 -39.35 18.12 Favored 'General case' 0 N--CA 1.467 0.386 0 O-C-N 122.125 -0.359 . . . . 0.0 110.751 -177.702 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.47 ' ND2' ' O ' ' A' ' 37' ' ' SER . 9.1 p30 -64.61 -43.19 94.53 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.042 -175.258 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 ' O ' ' HG3' ' A' ' 45' ' ' LYS . 29.5 m -65.33 -42.24 93.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.703 -0.226 . . . . 0.0 110.759 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 20.7 m -65.64 -39.48 91.49 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 121.112 0.482 . . . . 0.0 110.201 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -62.62 -44.77 95.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.136 176.366 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TRP . . . . . 0.49 ' HH2' HE21 ' A' ' 20' ' ' GLN . 83.0 t90 -61.76 -42.09 98.53 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.106 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.528 ' HG3' ' O ' ' A' ' 41' ' ' VAL . 97.3 mttt -56.43 -48.98 75.87 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-N 116.121 -0.491 . . . . 0.0 109.796 174.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -60.93 -34.32 74.53 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.487 -0.778 . . . . 0.0 110.671 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.545 ' O ' ' HG2' ' A' ' 51' ' ' GLN . 75.2 m -64.5 -53.81 42.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.467 178.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -61.46 -36.82 81.49 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 121.294 0.569 . . . . 0.0 110.025 178.616 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 tpt180 -60.56 -38.82 85.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.393 176.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 24.3 t80 -71.31 -37.33 71.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.977 -179.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.545 ' HG2' ' O ' ' A' ' 47' ' ' CYS . 12.7 mm100 -60.68 -29.19 69.15 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.21 176.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -71.34 -24.14 62.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.204 -0.907 . . . . 0.0 112.048 -174.213 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 60.3 mt -66.03 128.58 93.92 Favored Pre-proline 0 CA--C 1.538 0.503 0 N-CA-C 110.484 -0.191 . . . . 0.0 110.484 -177.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -70.91 14.6 0.33 Allowed 'Trans proline' 0 C--N 1.355 0.88 0 C-N-CA 123.16 2.574 . . . . 0.0 114.146 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.597 ' HB2' ' HG3' ' A' ' 99' ' ' PRO . . . 74.56 -40.99 0.46 Allowed 'General case' 0 N--CA 1.476 0.852 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 173.562 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.1 t -56.22 -31.24 63.32 Favored 'General case' 0 CA--C 1.534 0.336 0 C-N-CA 122.466 0.306 . . . . 0.0 111.759 -174.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.33 88.44 5.55 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 -179.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.573 ' HA ' HD12 ' A' ' 61' ' ' LEU . 25.8 m -67.81 -28.84 67.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.99 -177.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.417 ' O ' ' HG2' ' A' ' 63' ' ' GLN . 10.6 mm100 -66.15 -47.25 74.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.094 -178.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.17 -42.63 86.43 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.969 176.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 HD12 ' HA ' ' A' ' 58' ' ' THR . 87.3 mt -56.51 -48.62 76.81 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.577 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -63.63 -46.17 86.93 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.04 -178.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.417 ' HG2' ' O ' ' A' ' 59' ' ' GLN . 14.6 mm100 -64.89 -41.12 95.89 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.195 -177.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -73.06 -43.86 61.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.872 0.368 . . . . 0.0 110.254 -178.507 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.91 -35.88 71.66 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.227 177.203 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 tmm_? -61.32 -44.98 96.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.023 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -60.41 -46.89 88.36 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.06 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 62.0 mt -63.95 -40.36 88.79 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.393 178.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.579 ' HA ' ' HB2' ' A' ' 73' ' ' LEU . 61.9 t80 -61.66 -61.9 2.19 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.29 -176.148 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.529 ' HA ' ' HB3' ' A' ' 74' ' ' SER . 78.2 mt-30 -74.5 9.14 1.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 -167.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -130.86 -29.76 1.87 Allowed 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 120.794 -0.363 . . . . 0.0 111.782 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.465 ' HA ' ' HA ' ' A' ' 80' ' ' PRO . 80.4 m-85 -117.92 -23.91 7.3 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 121.975 -0.453 . . . . 0.0 111.78 -177.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.583 HD13 ' CZ2' ' A' ' 88' ' ' TRP . 33.9 mt -125.44 17.91 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.673 0.249 . . . . 0.0 111.673 -171.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.557 ' OG ' ' HB2' ' A' ' 77' ' ' ALA . 16.7 p -95.26 5.29 52.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.713 0.292 . . . . 0.0 110.807 177.532 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 42.0 m 70.58 -66.28 0.29 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.523 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 -93.0 39.86 1.05 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 121.341 0.591 . . . . 0.0 110.578 -176.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.557 ' HB2' ' OG ' ' A' ' 74' ' ' SER . . . -76.68 -178.27 4.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.396 -0.82 . . . . 0.0 111.426 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.419 ' N ' HD12 ' A' ' 78' ' ' LEU . 5.3 mp -72.53 -43.97 62.81 Favored 'General case' 0 C--O 1.235 0.31 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.42 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -144.89 80.01 11.66 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.719 174.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.465 ' HA ' ' HA ' ' A' ' 72' ' ' PHE . 97.9 Cg_endo -83.13 151.54 13.96 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.808 2.338 . . . . 0.0 112.579 -177.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.599 HG12 ' HG2' ' A' ' 39' ' ' GLU . 17.8 m -91.73 150.04 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.55 178.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -97.19 101.99 13.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.96 -178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.595 ' H ' HD13 ' A' ' 83' ' ' ILE . 0.2 OUTLIER -127.42 -168.36 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 174.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -75.05 66.14 1.57 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.007 0.432 . . . . 0.0 110.315 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.524 ' HA ' ' HB2' ' A' ' 88' ' ' TRP . 22.5 mmm180 -67.18 -26.05 66.45 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.32 -179.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 29.4 mm-40 -56.23 -28.25 57.77 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.723 -0.672 . . . . 0.0 111.023 178.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -142.95 36.55 1.4 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.54 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TRP . . . . . 0.583 ' CZ2' HD13 ' A' ' 73' ' ' LEU . 21.4 t90 -69.58 168.06 15.52 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.546 -175.626 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.682 HD13 ' SD ' ' A' ' 101' ' ' MET . 39.6 mt -49.79 -51.13 41.76 Favored 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 123.791 0.836 . . . . 0.0 111.993 -177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 103.88 -172.66 21.04 Favored Glycine 0 CA--C 1.519 0.334 0 CA-C-N 116.079 -0.509 . . . . 0.0 112.893 176.628 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' HA ' HD23 ' A' ' 94' ' ' LEU . 40.4 tt0 -59.92 -12.11 7.05 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.167 0.587 . . . . 0.0 111.592 179.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -56.98 -28.67 62.56 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 121.308 0.575 . . . . 0.0 109.7 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.578 HG13 ' HG2' ' A' ' 101' ' ' MET . 58.9 t -66.17 -37.05 78.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.807 178.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 94' ' ' LEU . 2.7 mm? -85.6 -21.98 28.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.441 -177.596 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.12 -61.15 1.99 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.618 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -134.51 89.31 27.0 Favored Pre-proline 0 CA--C 1.533 0.312 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.075 179.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . 95.5 Cg_endo -84.14 157.7 13.18 Favored 'Trans proline' 0 N--CA 1.462 -0.368 0 C-N-CA 122.826 2.351 . . . . 0.0 113.485 -176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.527 ' HA ' HD13 ' A' ' 61' ' ' LEU . 0.0 OUTLIER -149.26 152.58 36.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.172 174.122 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.597 ' HG3' ' HB2' ' A' ' 55' ' ' ALA . 16.2 Cg_endo -55.03 -31.45 74.72 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.36 2.04 . . . . 0.0 111.774 -175.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -95.74 93.44 7.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.505 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' MET . . . . . 0.682 ' SD ' HD13 ' A' ' 89' ' ' LEU . 52.9 tpp -142.84 -56.45 0.42 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.441 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -87.18 22.94 1.94 Allowed 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.835 -0.62 . . . . 0.0 111.349 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.9 ttm180 -49.87 -53.13 27.69 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.117 0.484 . . . . 0.0 111.222 -175.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.467 ' HB3' ' NE2' ' A' ' 105' ' ' GLN . . . -62.99 -51.03 68.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.975 -177.619 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.467 ' NE2' ' HB3' ' A' ' 104' ' ' ALA . 1.7 mp0 -59.4 -37.54 78.26 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.975 -176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -55.6 -55.84 27.34 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.134 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 15.0 tp -78.78 -18.48 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.686 -176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 6.0 tp60 -66.86 -45.82 76.94 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.271 -0.641 . . . . 0.0 109.271 178.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 1.1 mp -67.17 -40.99 86.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.375 0 CA-C-N 115.487 -0.779 . . . . 0.0 110.207 176.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' O ' ' HB2' ' A' ' 114' ' ' LYS . 51.7 t80 -56.79 -58.08 9.69 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.143 177.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -61.62 -30.93 71.02 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.953 -178.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -57.3 -58.66 7.28 Favored 'General case' 0 CA--C 1.532 0.257 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.093 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' MET . . . . . 0.479 ' SD ' ' HB2' ' A' ' 117' ' ' SER . 25.5 mmt -81.94 -16.92 48.88 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.287 -177.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.428 ' HB2' ' O ' ' A' ' 110' ' ' PHE . 25.8 ttpp -57.3 -23.42 48.41 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 122.656 0.383 . . . . 0.0 111.799 -176.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -127.08 18.94 7.08 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.272 0.558 . . . . 0.0 110.239 179.166 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -134.53 -89.77 0.35 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.131 -176.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.479 ' HB2' ' SD ' ' A' ' 113' ' ' MET . 17.2 t -60.33 -40.8 91.94 Favored 'General case' 0 CA--C 1.531 0.236 0 CA-C-O 120.851 0.358 . . . . 0.0 110.176 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . . . . . . . . . 37.1 t80 -57.31 -42.99 82.85 Favored 'General case' 0 CA--C 1.532 0.281 0 CA-C-O 120.984 0.421 . . . . 0.0 110.647 174.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ALA . . . . . . . . . . . . . . . -69.22 -34.05 74.26 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.124 -178.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 120' ' ' ARG . 11.6 tpt85 -72.29 -48.86 39.11 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.409 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -54.86 -52.82 61.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.908 -177.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . . . . . . . . . 34.8 m -63.18 -18.44 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.385 0 CA-C-O 120.708 0.289 . . . . 0.0 111.656 -176.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -94.76 -14.6 24.58 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 121.083 0.468 . . . . 0.0 110.424 178.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 49.0 m -80.55 150.5 70.22 Favored Pre-proline 0 CA--C 1.538 0.483 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.372 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -56.77 -23.64 51.13 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.36 2.707 . . . . 0.0 113.867 -174.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.608 HD12 ' HB2' ' A' ' 31' ' ' PHE . 77.1 mt -60.77 -40.0 90.91 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.838 0.352 . . . . 0.0 110.998 -178.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -63.87 -40.24 96.08 Favored 'General case' 0 C--O 1.24 0.56 0 CA-C-O 122.394 1.092 . . . . 0.0 108.769 175.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 31.0 ttm180 -78.5 -3.64 44.55 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 114.379 -1.282 . . . . 0.0 110.611 -178.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -77.42 -28.24 52.53 Favored 'General case' 0 C--O 1.235 0.294 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 171.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' CYS . . . . . . . . . . . . . 62.9 m -78.41 -38.92 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.18 176.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 7.9 mp -83.91 -62.24 1.62 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.624 178.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' O ' ' HB2' ' A' ' 133' ' ' ALA . 96.9 mt 59.94 -108.87 0.39 Allowed 'General case' 0 C--O 1.238 0.452 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.73 -174.332 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 132' ' ' LEU . . . 169.03 -60.29 0.01 OUTLIER 'General case' 0 C--O 1.236 0.36 0 C-N-CA 123.355 0.662 . . . . 0.0 109.279 -178.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -151.18 -59.64 0.17 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.189 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -146.36 127.53 14.73 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.187 -177.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.532 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.673 177.196 . . . . . . . . 1 1 . 1 stop_ save_