data_2kyh_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 2kyh _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 ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.416 ' N ' ' CD1' ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 HD11 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.752 ' HG ' ' H ' ' A' ' 82' ' ' ASP . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.752 ' H ' ' HG ' ' A' ' 80' ' ' SER . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 94' ' ' ILE . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.628 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.017 0.437 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 40' ' ' ILE . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.603 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.603 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 106' ' ' ILE . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 124' ' ' PHE . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 27' ' ' VAL . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 47' ' ' THR . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' MET . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 77' ' ' ALA . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' THR . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 130' ' ' ILE . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.965 0.412 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.518 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.518 ' N ' ' HG ' ' A' ' 32' ' ' SER . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG1' ' HG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.517 ' HG1' ' CG1' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.403 ' OH ' ' OG1' ' A' ' 90' ' ' THR . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' OH ' ' A' ' 73' ' ' TYR . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 133' ' ' ARG . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.566 ' N ' ' HG ' ' A' ' 132' ' ' SER . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.455 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.502 ' N ' ' HG ' ' A' ' 32' ' ' SER . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 48' ' ' MET . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.428 ' N ' ' CG2' ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.496 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.653 HH11 ' HZ1' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.653 ' HZ1' HH11 ' A' ' 76' ' ' ARG . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.673 ' HG ' ' H ' ' A' ' 82' ' ' ASP . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.673 ' H ' ' HG ' ' A' ' 80' ' ' SER . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.447 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 106' ' ' ILE . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.7 0.286 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.437 ' OE2' ' OH ' ' A' ' 59' ' ' TYR . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.437 ' OH ' ' OE2' ' A' ' 45' ' ' GLU . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 64' ' ' ILE . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG12 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 68' ' ' ILE . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.471 ' NE1' HG12 ' A' ' 66' ' ' VAL . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 90' ' ' THR . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 106' ' ' ILE . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.461 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 135' ' ' SER . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 132' ' ' SER . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . 0.463 ' C ' ' CD1' ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.805 0.336 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' A' ' 32' ' ' SER . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.53 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.53 ' N ' ' HG ' ' A' ' 32' ' ' SER . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.459 ' N ' ' CG2' ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 77' ' ' ALA . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.441 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 113' ' ' LEU . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 134' ' ' GLY . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 139' ' ' SER . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 136' ' ' LYS . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.4 mp . . . . . 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.467 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.434 ' CD2' ' C ' ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.456 ' OH ' ' OG1' ' A' ' 90' ' ' THR . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.456 ' OG1' ' OH ' ' A' ' 73' ' ' TYR . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 131' ' ' ILE . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 33' ' ' TYR . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.462 ' N ' ' HG ' ' A' ' 38' ' ' SER . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 47' ' ' THR . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.486 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.547 ' OG ' ' CD2' ' A' ' 86' ' ' TYR . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.44 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CD2' ' OG ' ' A' ' 80' ' ' SER . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 98' ' ' VAL . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 28' ' ' GLU . 1.5 p . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.737 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 27' ' ' VAL . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 48' ' ' MET . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 48' ' ' MET . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.49 ' O ' ' O ' ' A' ' 44' ' ' VAL . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.583 ' H ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.619 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.442 ' CD2' ' H ' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.519 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . 0.519 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.48 ' N ' ' CG2' ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 132' ' ' SER . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 140' ' ' ALA . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.463 ' H ' ' HG ' ' A' ' 139' ' ' SER . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 48' ' ' MET . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 44' ' ' VAL . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 54' ' ' TYR . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.414 ' H ' ' HG ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 HD13 ' H ' ' A' ' 64' ' ' ILE . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 67' ' ' ILE . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.479 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.461 ' N ' ' CG2' ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HH ' ' NZ ' ' A' ' 79' ' ' LYS . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.516 ' NZ ' ' HH ' ' A' ' 75' ' ' TYR . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' N ' ' CD1' ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 106' ' ' ILE . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.415 HH11 HG23 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.996 0.427 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.592 ' N ' ' HG ' ' A' ' 38' ' ' SER . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 48' ' ' MET . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 89' ' ' LYS . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . 0.619 ' N ' ' CD1' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . 0.424 ' N ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.547 0.213 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.441 ' OG ' ' OD1' ' A' ' 82' ' ' ASP . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' OD1' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.465 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 131' ' ' ILE . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.638 ' HG ' ' N ' ' A' ' 133' ' ' ARG . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.638 ' N ' ' HG ' ' A' ' 132' ' ' SER . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 132' ' ' SER . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 28' ' ' GLU . 1.2 p . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' HG11 ' A' ' 27' ' ' VAL . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.463 ' N ' ' CG2' ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 140' ' ' ALA . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.443 ' N ' ' HG ' ' A' ' 139' ' ' SER . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . 0.431 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.464 ' N ' ' CG2' ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 67' ' ' ILE . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.433 ' O ' ' OG ' ' A' ' 139' ' ' SER . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 136' ' ' LYS . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.491 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.479 ' N ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 67' ' ' ILE . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB1' HH21 ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 135' ' ' SER . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.416 HH21 ' HB1' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 132' ' ' SER . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 33.1 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 40' ' ' ILE . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.443 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 39' ' ' VAL . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.516 ' HG1' ' CD1' ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.612 ' H ' ' CD1' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.526 ' CD ' ' HZ3' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' N ' ' CD2' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.453 ' O ' ' OG ' ' A' ' 132' ' ' SER . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LYS . . . . . 0.526 ' HZ3' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.516 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' LEU . 79.5 ttt180 56.72 116.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.39 -149.39 16.85 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' H ' ' CD2' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -83.36 155.59 23.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.868 0.366 . . . . 0.0 110.075 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -152.39 163.26 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.305 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -133.3 132.64 41.6 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.237 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.73 95.73 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.95 -80.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.19 -37.54 24.11 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.42 -64.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.42 -20.78 23.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.99 -61.07 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.5 m120 -63.92 -46.83 83.0 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.5 mp -67.36 -25.87 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.46 -58.09 5.19 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.477 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 8.5 p-10 -66.25 -19.03 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.87 -46.12 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.217 0.532 . . . . 0.0 110.45 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.55 ' C ' ' H ' ' A' ' 24' ' ' HIS . 16.8 ttt -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -74.4 28.52 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.799 0.333 . . . . 0.0 110.461 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.55 ' H ' ' C ' ' A' ' 22' ' ' MET . 24.7 t-80 -42.64 139.1 2.07 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.294 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.433 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 78.0 Cg_exo -39.49 -39.75 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.895 1.73 . . . . 0.0 112.481 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -65.47 -40.75 93.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.907 0.384 . . . . 0.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' HIS . 25.5 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.442 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.435 HD13 ' N ' ' A' ' 40' ' ' ILE . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 HD11 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.752 ' HG ' ' H ' ' A' ' 82' ' ' ASP . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.752 ' H ' ' HG ' ' A' ' 80' ' ' SER . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.412 ' O ' HD13 ' A' ' 94' ' ' ILE . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.628 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.628 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.451 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.436 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp -62.49 -43.8 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.96 -53.11 57.41 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.838 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.45 -42.24 83.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.62 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.653 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.57 88.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -62.4 -38.86 91.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.258 -179.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -43.14 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' A' ' 149' ' ' VAL . 57.6 mt -65.51 -62.84 1.29 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.859 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.541 ' C ' ' O ' ' A' ' 148' ' ' LEU . 1.9 p 16.64 74.48 0.16 Allowed Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.996 0.81 . . . . 0.0 110.93 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.51 -24.64 13.73 Favored 'Trans proline' 0 C--N 1.296 -2.229 0 C-N-CA 122.041 1.827 . . . . 0.0 112.373 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.622 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.461 ' CD2' ' H3 ' ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.28 152.79 45.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.07 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.36 7.89 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.68 132.46 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.261 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -102.24 52.58 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -69.01 144.03 54.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 67.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.405 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.83 -72.47 0.05 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.41 -45.0 97.01 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -62.7 -39.86 95.31 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.082 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.529 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 47.7 t -59.23 -44.53 92.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.995 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -62.93 -42.15 99.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.358 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.72 -40.79 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' MET . 23.4 mm -61.23 -43.31 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.181 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -47.39 85.86 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -75.48 -38.33 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 23' ' ' GLU . 89.7 t -79.82 -2.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ILE . 6.6 tpt -57.32 -2.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 21' ' ' VAL . 12.7 pt-20 -116.5 26.67 9.71 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.064 0.459 . . . . 0.0 109.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -46.64 133.67 8.08 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.233 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.3 -37.09 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.851 1.701 . . . . 0.0 112.698 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.01 -44.04 85.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -35.5 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.584 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.416 HG21 HD11 ' A' ' 40' ' ' ILE . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.603 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.603 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' A' ' 15' ' ' VAL . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 106' ' ' ILE . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.402 HG23 ' O ' ' A' ' 124' ' ' PHE . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.501 ' CD1' ' N ' ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.441 ' O ' ' N ' ' A' ' 145' ' ' ALA . 1.4 tp -67.26 -31.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.79 -50.71 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.56 -47.74 66.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.441 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -50.32 -32.61 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.195 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 51.5 t0 -71.18 -40.18 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.654 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.36 -40.08 52.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.23 -59.47 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.747 -179.482 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 6.0 t 58.46 70.49 1.2 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.4 -41.15 75.18 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.755 2.303 . . . . 0.0 112.138 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.631 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 -73.02 -24.03 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -60.84 0.18 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 mt 58.79 68.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 t -74.19 48.17 0.31 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.34 131.99 17.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.01 -43.88 97.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.563 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.35 129.65 5.86 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.21 -30.89 75.09 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 5.8 mmp_? -62.29 -41.81 98.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 0.0 110.423 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -43.56 96.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.362 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -59.07 -42.6 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' A' ' 14' ' ' ARG . 75.7 m-20 -63.01 -40.06 96.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.234 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' MET . 1.2 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.17 -49.54 71.39 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.16 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.09 -41.24 70.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.69 -35.6 56.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . 13.1 tpt -75.83 -28.12 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 76' ' ' ARG . 99.4 mt-10 -98.9 16.86 21.04 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.442 0.463 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -59.36 139.43 88.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.633 -178.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.88 -34.06 3.48 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.749 1.633 . . . . 0.0 112.677 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.46 -38.85 91.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.445 HG13 ' N ' ' A' ' 28' ' ' GLU . 0.5 OUTLIER -63.06 -38.62 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.894 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' N ' HG13 ' A' ' 27' ' ' VAL . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.441 ' O ' ' OG1' ' A' ' 47' ' ' THR . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.473 ' O ' ' N ' ' A' ' 48' ' ' MET . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.473 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 23' ' ' GLU . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.4 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 77' ' ' ALA . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 90' ' ' THR . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.432 ' CD1' ' N ' ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.415 HG23 HD11 ' A' ' 130' ' ' ILE . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.19 -44.16 99.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.76 63.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.88 -47.91 34.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -62.53 -29.33 70.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -48.67 -37.17 17.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.7 -38.56 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -90.25 -20.58 22.81 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 149' ' ' VAL . 0.3 OUTLIER -77.08 -61.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 148' ' ' LEU . 4.2 t 26.88 73.13 0.38 Allowed Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.83 0.707 . . . . 0.0 110.887 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.1 115.75 3.81 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.322 2.014 . . . . 0.0 112.239 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.447 179.463 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' GLY . 4.4 mm? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 63.68 -65.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . 66.08 126.42 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -76.13 146.53 39.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.926 0.393 . . . . 0.0 110.325 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -150.85 173.22 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.578 ' C ' ' H ' ' A' ' 12' ' ' GLY . 38.6 t0 -69.01 -142.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.523 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 7.0 tp 68.34 -36.5 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.332 0.395 . . . . 0.0 110.706 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 10' ' ' ASP . . . -59.92 -25.32 61.56 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.64 90.78 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.33 . . . . 0.0 110.696 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 t -64.91 -43.09 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -63.58 -39.51 94.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -61.96 -48.32 80.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.662 -179.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' MET . 19.2 mm -67.39 -42.24 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.0 110.749 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.58 97.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.224 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' OE2' ' A' ' 23' ' ' GLU . 38.0 t0 -85.24 -18.58 33.57 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.845 0.323 . . . . 0.0 110.988 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 54.4 t -97.25 -12.1 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.8 0.334 . . . . 0.0 110.519 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' MET . 15.2 ttt -100.77 6.11 43.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.291 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 22.4 pt-20 -88.49 27.88 1.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.52 140.09 4.39 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.444 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.94 -29.29 11.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.727 1.618 . . . . 0.0 112.466 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.56 -43.56 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.73 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -34.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.442 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.518 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.518 ' N ' ' HG ' ' A' ' 32' ' ' SER . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.509 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG1' ' HG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.517 ' HG1' ' CG1' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.403 ' OH ' ' OG1' ' A' ' 90' ' ' THR . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.403 ' OG1' ' OH ' ' A' ' 73' ' ' TYR . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.633 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.633 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.566 ' HG ' ' N ' ' A' ' 133' ' ' ARG . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.566 ' N ' ' HG ' ' A' ' 132' ' ' SER . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 95.6 mt -64.57 -43.44 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.07 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.19 -42.05 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -67.96 -41.52 82.31 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.64 71.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.718 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.37 -50.96 70.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.916 0.388 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.07 -33.47 75.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.138 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' ALA . 46.6 tp -71.31 -51.86 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 22.8 t -84.02 120.72 75.23 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.561 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.87 -70.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.867 1.711 . . . . 0.0 112.225 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.651 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -144.15 122.87 12.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 90.3 0.08 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 9' ' ' SER . 9.4 tp -120.9 107.6 12.89 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.669 ' HG ' ' N ' ' A' ' 10' ' ' ASP . 48.5 t 51.11 169.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.669 ' N ' ' HG ' ' A' ' 9' ' ' SER . 72.5 m-20 -149.44 118.87 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -172.2 71.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.4 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.53 -28.76 5.0 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 56.04 0.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.05 -27.71 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.713 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -64.68 -38.79 92.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 4.4 p-10 -89.2 -53.51 4.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.3 mm -62.9 -43.29 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.503 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.91 -60.45 4.96 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 111.741 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.02 -25.89 38.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.673 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 20.1 ttp -89.2 -41.39 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.165 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -95.14 29.13 2.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -44.9 151.51 0.63 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.985 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.41 -39.8 1.84 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.79 -46.79 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.689 -0.405 . . . . 0.0 109.987 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t -64.09 -44.42 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.147 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.455 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.502 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.502 ' N ' ' HG ' ' A' ' 32' ' ' SER . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' CD1' ' CZ ' ' A' ' 33' ' ' TYR . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 48' ' ' MET . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.428 ' N ' ' CG2' ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.496 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.61 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.653 HH11 ' HZ1' ' A' ' 79' ' ' LYS . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.417 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.653 ' HZ1' HH11 ' A' ' 76' ' ' ARG . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.673 ' HG ' ' H ' ' A' ' 82' ' ' ASP . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.673 ' H ' ' HG ' ' A' ' 80' ' ' SER . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.447 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 106' ' ' ILE . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 2.7 mp -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.08 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.589 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -64.09 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.5 98.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.051 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.62 85.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.596 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -58.52 -48.54 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.557 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.7 mt -64.28 -44.21 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.357 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.92 77.17 72.51 Favored Pre-proline 0 CA--C 1.53 0.173 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.78 15.22 1.32 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.631 2.22 . . . . 0.0 111.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.241 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 5' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.47 ' HE ' ' CA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER 54.47 26.14 6.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.407 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.39 87.33 0.08 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt 58.46 156.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.06 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -64.79 -33.69 76.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.325 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.18 127.29 31.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.19 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.67 33.66 4.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.401 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.76 -0.92 60.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.76 -51.84 56.57 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -66.06 -37.58 86.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.793 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.5 t -70.62 -23.58 24.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.922 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -59.8 -49.01 79.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.794 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 2.9 p-10 -75.12 -49.75 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.418 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.63 -45.02 99.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -64.39 -50.98 56.42 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.762 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.411 -0.464 . . . . 0.0 110.685 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.93 -42.24 88.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.511 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 4.3 ttp -86.14 -9.54 56.45 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' GLY . 24.4 tp10 -112.75 28.11 9.07 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 47.7 t-80 -54.66 132.52 64.76 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 120.625 -0.43 . . . . 0.0 109.942 -179.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -39.22 -35.33 0.67 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.946 1.764 . . . . 0.0 113.118 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.47 -39.65 81.3 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -65.25 -33.25 62.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.938 -179.136 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.437 ' OE2' ' OH ' ' A' ' 59' ' ' TYR . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.437 ' OH ' ' OE2' ' A' ' 45' ' ' GLU . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 HD11 HG21 ' A' ' 64' ' ' ILE . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG12 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.409 HD11 HG23 ' A' ' 68' ' ' ILE . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.471 ' NE1' HG12 ' A' ' 66' ' ' VAL . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.52 ' O ' ' N ' ' A' ' 90' ' ' THR . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.52 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.417 HD13 HG23 ' A' ' 106' ' ' ILE . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.5 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp -64.33 -45.15 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.11 98.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.901 0.382 . . . . 0.0 110.199 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -64.79 -45.8 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.768 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.17 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.76 86.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.213 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 52.6 t0 -63.06 -38.72 92.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -76.76 -41.71 43.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.794 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.18 -53.59 10.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 3.2 t 52.96 60.19 12.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.46 146.39 44.45 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.547 2.164 . . . . 0.0 111.724 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.258 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.423 ' H ' ' H3 ' ' A' ' 5' ' ' LEU . 2.0 mpp_? -75.41 148.56 39.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.053 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.4 -179.2 0.27 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp 54.36 92.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 p -164.8 -40.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.42 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -99.33 111.93 24.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.408 ' CD2' ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -103.01 -90.79 0.36 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.987 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.493 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 63.1 138.12 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.39 -40.52 0.61 Allowed Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' H ' ' C ' ' A' ' 12' ' ' GLY . 16.9 mmm-85 -63.01 -31.44 72.58 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.87 -46.92 93.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.867 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.68 -39.64 88.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -63.14 -44.67 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 22' ' ' MET . 94.3 mt -64.98 -44.31 96.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.42 -51.69 52.79 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.373 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.73 -44.27 90.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.8 t -76.06 -20.64 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.764 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.1 tmt? -95.12 -9.06 34.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.733 0.301 . . . . 0.0 111.053 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -120.16 -5.32 9.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.417 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 17.1 t-80 -46.31 135.09 7.29 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.216 -178.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -46.76 -33.6 14.15 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.337 1.358 . . . . 0.0 112.389 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.4 mp -64.91 -39.66 93.87 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.42 HG13 ' N ' ' A' ' 28' ' ' GLU . 0.3 OUTLIER -62.77 -35.28 70.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 -179.528 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.42 ' N ' HG13 ' A' ' 27' ' ' VAL . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' A' ' 135' ' ' SER . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' A' ' 132' ' ' SER . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.463 ' CD1' ' C ' ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.43 -42.02 86.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.36 45.38 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.446 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.47 -46.08 87.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -64.25 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.6 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -65.87 -31.53 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.127 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -79.75 -39.37 31.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 149' ' ' VAL . 7.3 mp -67.06 -60.47 2.6 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.568 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 148' ' ' LEU . 0.4 OUTLIER 19.49 78.83 0.16 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 123.805 0.691 . . . . 0.0 111.381 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.22 -21.18 13.88 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.235 1.957 . . . . 0.0 112.344 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.601 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.42 ' C ' ' H ' ' A' ' 8' ' ' LEU . 80.2 ttt180 -156.11 113.18 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 75.09 -12.92 6.13 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' H ' ' C ' ' A' ' 6' ' ' ARG . 68.4 mt -119.04 133.16 55.98 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' OG ' ' A' ' 9' ' ' SER . 12.1 t 49.12 34.2 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.675 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 16.7 p-10 -129.08 114.66 16.64 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 8.2 tp -82.75 -109.05 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.416 ' HA3' ' H ' ' A' ' 17' ' ' ASN . . . -142.11 26.91 2.31 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.52 24.67 32.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.384 -1.087 . . . . 0.0 110.384 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 62.79 28.23 16.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.375 0.607 . . . . 0.0 109.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -147.43 -63.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.7 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 30.9 mmm-85 -48.13 -64.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.296 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.416 ' H ' ' HA3' ' A' ' 12' ' ' GLY . 71.8 m-20 -63.4 -43.55 97.21 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.495 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.7 mp -62.35 -47.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.513 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.14 59.12 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.703 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 16' ' ' ARG . 2.3 m-20 -66.05 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.698 0.285 . . . . 0.0 110.818 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.3 t -92.14 -53.0 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.686 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -12.12 45.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.674 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -107.98 23.05 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -45.94 132.67 6.97 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.001 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -42.15 -31.92 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.886 1.724 . . . . 0.0 112.744 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.53 -42.26 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -67.58 -34.77 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' O ' ' OG ' ' A' ' 32' ' ' SER . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.53 ' HG ' ' N ' ' A' ' 33' ' ' TYR . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.53 ' N ' ' HG ' ' A' ' 32' ' ' SER . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.459 ' N ' ' CG2' ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.465 ' O ' ' N ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.465 ' N ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' O ' ' OG ' ' A' ' 80' ' ' SER . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 77' ' ' ALA . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.441 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.441 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 113' ' ' LEU . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.409 ' O ' ' N ' ' A' ' 134' ' ' GLY . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.438 ' O ' ' OG ' ' A' ' 139' ' ' SER . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 136' ' ' LYS . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.466 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.4 mp -66.21 -42.52 91.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.43 -47.56 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.653 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 111.203 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.35 79.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.511 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -57.44 -34.35 68.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.388 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -79.67 -39.48 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.234 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.4 mm? -79.95 -50.76 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.257 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.511 ' N ' ' O ' ' A' ' 145' ' ' ALA . 2.2 p 32.25 71.01 0.68 Allowed Pre-proline 0 N--CA 1.465 0.308 0 O-C-N 123.463 0.477 . . . . 0.0 110.682 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.77 137.97 71.55 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.135 1.89 . . . . 0.0 111.722 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.359 179.031 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -60.59 111.24 1.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' SER . . . 167.04 -114.44 0.58 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 tp 68.53 -42.66 0.48 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' GLY . 7.0 p -61.22 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -92.47 103.99 16.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -88.43 -84.47 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.333 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.441 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 90.8 167.14 41.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.26 -59.69 1.36 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NE ' ' CD1' ' A' ' 11' ' ' LEU . 35.5 ptt180 -64.83 -41.0 96.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 16' ' ' ARG . 84.3 t -60.9 -60.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 15' ' ' VAL . 50.5 ttm-85 22.52 -118.04 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.868 0.73 . . . . 0.0 111.776 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.32 31.86 3.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 22' ' ' MET . 10.2 tp -52.03 -40.59 29.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 O-C-N 123.601 0.563 . . . . 0.0 110.776 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' CG2' ' A' ' 18' ' ' ILE . . . -56.15 -58.65 13.18 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.136 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.09 -42.65 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.8 -47.37 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.541 ' C ' ' H ' ' A' ' 24' ' ' HIS . 6.7 tpt -62.31 -40.21 95.55 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.646 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.8 25.41 0.09 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.15 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.541 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.7 OUTLIER -47.19 145.78 3.41 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -42.08 -42.45 7.14 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.59 1.526 . . . . 0.0 112.559 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.8 -41.4 97.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.445 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t -63.0 -42.95 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.488 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.467 HG23 ' H ' ' A' ' 48' ' ' MET . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.467 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.434 ' CD2' ' C ' ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.447 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.456 ' OH ' ' OG1' ' A' ' 90' ' ' THR . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.405 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.456 ' OG1' ' OH ' ' A' ' 73' ' ' TYR . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.413 HG21 HD12 ' A' ' 131' ' ' ILE . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -63.8 -44.07 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.68 -50.49 68.1 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.361 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -66.49 -43.13 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.93 99.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.901 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.58 87.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.17 -34.33 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.277 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.98 -37.14 29.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.73 -58.75 3.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.772 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.1 t 45.22 80.02 0.31 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 151' ' ' ARG . 61.1 Cg_endo -75.3 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 121.81 1.673 . . . . 0.0 111.665 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 150' ' ' PRO . 20.5 ttm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.305 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.549 ' CD1' ' H2 ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 148.25 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.48 129.08 48.96 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 9' ' ' SER . 1.3 tt -139.78 121.42 15.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.482 ' O ' ' OG ' ' A' ' 9' ' ' SER . 3.0 p 75.03 97.65 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.349 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -146.21 128.15 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -166.88 -55.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.609 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.87 55.0 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.41 90.7 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -60.23 -45.82 91.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.99 0.424 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.32 -40.53 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.273 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.46 -46.05 84.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.71 -51.98 59.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 22' ' ' MET . 81.6 mt -64.12 -49.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.88 42.09 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.22 -37.19 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.878 0.37 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.409 ' O ' ' CG1' ' A' ' 21' ' ' VAL . 54.1 t -82.64 -7.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.883 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' ILE . 12.1 tpt -89.11 -16.95 30.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -113.0 -22.9 10.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.484 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -47.12 133.72 9.07 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -41.22 -27.13 0.36 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.353 2.035 . . . . 0.0 112.547 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -66.8 -34.49 77.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.173 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 p -60.83 -34.29 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.762 -179.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.428 ' O ' ' CB ' ' A' ' 33' ' ' TYR . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.462 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.462 ' N ' ' HG ' ' A' ' 38' ' ' SER . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.457 ' O ' ' OG1' ' A' ' 47' ' ' THR . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.402 ' N ' ' O ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.406 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.486 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.486 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.547 ' OG ' ' CD2' ' A' ' 86' ' ' TYR . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.44 ' O ' ' CG2' ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.547 ' CD2' ' OG ' ' A' ' 80' ' ' SER . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.458 ' O ' ' C ' ' A' ' 98' ' ' VAL . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -65.48 -44.01 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 138' ' ' LEU . . . -55.64 -40.78 72.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.478 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.54 -48.83 79.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.58 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.11 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -69.11 -40.15 78.53 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -43.66 72.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.24 -41.98 76.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.4 mt -96.03 -6.11 39.5 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' A' ' 145' ' ' ALA . 0.5 OUTLIER 76.55 133.61 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.781 -179.728 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.53 139.19 38.58 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.943 1.762 . . . . 0.0 112.029 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.5 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -147.48 168.15 22.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.17 96.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -102.82 130.82 49.95 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.733 0.302 . . . . 0.0 110.297 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -152.45 31.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.2 t0 43.41 89.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.526 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -71.48 -83.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.988 -179.513 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.23 -27.32 5.13 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.16 97.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -62.32 -36.21 81.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.645 0.259 . . . . 0.0 110.461 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.45 -44.86 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.557 ' C ' ' H ' ' A' ' 18' ' ' ILE . 68.9 mtp85 -72.32 154.56 40.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.784 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 71.42 -21.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.647 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.557 ' H ' ' C ' ' A' ' 16' ' ' ARG . 1.8 tp -67.55 -38.27 80.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 110.365 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.41 -48.32 65.16 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.07 -42.03 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 47.5 t -67.53 -9.85 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 2.6 mmt -79.51 -4.4 51.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.532 -179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -121.73 -5.3 9.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.453 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.404 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t-80 -46.09 134.16 7.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.724 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -41.28 -31.4 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 121.813 1.675 . . . . 0.0 112.542 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.414 HG12 ' N ' ' A' ' 28' ' ' GLU . 1.5 p -68.34 -35.57 71.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.737 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' N ' HG12 ' A' ' 27' ' ' VAL . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.49 ' O ' ' O ' ' A' ' 48' ' ' MET . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 48' ' ' MET . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.49 ' O ' ' O ' ' A' ' 44' ' ' VAL . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.583 ' CD1' ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.619 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.619 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.405 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.442 ' H ' ' CD2' ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.519 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.519 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.458 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.48 ' N ' ' CG2' ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' A' ' 132' ' ' SER . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.463 ' HG ' ' H ' ' A' ' 140' ' ' ALA . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.463 ' H ' ' HG ' ' A' ' 139' ' ' SER . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp -62.63 -29.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.04 -55.52 16.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.708 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -64.02 -41.83 97.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 148' ' ' LEU . . . -64.78 -46.1 83.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.767 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.02 74.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -51.22 69.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.132 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.46 -37.36 28.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.175 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 144' ' ' ALA . 13.8 tp -66.54 -52.77 42.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.033 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 7.1 p -175.47 96.78 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.115 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.67 146.79 25.91 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.331 2.021 . . . . 0.0 112.169 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 42.9 ttp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.469 -179.81 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -61.09 -24.56 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.72 -26.89 65.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.5 mm? -81.79 134.46 35.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.071 0.463 . . . . 0.0 110.564 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 t -70.76 11.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.528 ' H ' ' C ' ' A' ' 8' ' ' LEU . 57.2 t0 -54.49 -39.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 34.4 tp -52.46 -70.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.108 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.6 33.71 0.39 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -110.74 -53.75 0.55 Allowed Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -68.02 -20.25 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.8 t -60.08 -25.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.731 -179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -63.97 -36.75 85.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.11 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 77.5 m-20 -63.09 -31.12 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' O ' ' CG ' ' A' ' 22' ' ' MET . 3.6 tp -52.02 -27.31 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.403 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.88 -55.67 15.94 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.59 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 38.2 p-10 -86.21 -4.77 59.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.794 0.297 . . . . 0.0 111.221 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 37.2 t -95.84 -49.44 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.829 0.347 . . . . 0.0 110.408 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -55.78 -29.76 60.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -101.62 15.53 28.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.53 ' CD2' ' N ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -43.92 151.45 0.51 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.157 178.933 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.28 -28.72 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.241 1.961 . . . . 0.0 112.602 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 24' ' ' HIS . 0.2 OUTLIER -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.074 -179.136 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG2' ' HE2' ' A' ' 24' ' ' HIS . 56.1 t -79.74 -43.69 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.03 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.4 ' CG1' ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.422 ' CG2' ' N ' ' A' ' 48' ' ' MET . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' O ' ' O ' ' A' ' 44' ' ' VAL . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.486 ' NE2' ' O ' ' A' ' 50' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.414 ' HG ' ' H ' ' A' ' 54' ' ' TYR . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.414 ' H ' ' HG ' ' A' ' 51' ' ' SER . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 HD13 ' H ' ' A' ' 64' ' ' ILE . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.506 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.415 HG21 HD11 ' A' ' 67' ' ' ILE . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.479 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.512 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.46 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -64.1 -44.52 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.38 67.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.02 -41.03 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.13 94.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.02 79.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.63 -46.64 89.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.76 -28.9 44.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.741 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.5 -47.62 84.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.44 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 2.1 p -127.24 79.97 72.34 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.752 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.75 -39.35 84.04 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.307 2.005 . . . . 0.0 111.831 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.515 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -62.51 -35.76 80.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.3 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 -60.78 4.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' O ' ' OG ' ' A' ' 9' ' ' SER . 37.4 mt -64.44 -37.87 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.152 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 10' ' ' ASP . 94.7 p 51.51 -168.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 23.8 t70 56.16 114.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 110.457 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' CD2' ' H ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -60.32 -36.55 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.999 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.02 -39.0 4.93 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . . . -68.81 -36.86 83.16 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.558 ' NH2' HH12 ' A' ' 16' ' ' ARG . 6.7 mmp_? -64.62 -37.02 86.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.461 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.83 97.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.674 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.558 HH12 ' NH2' ' A' ' 14' ' ' ARG . 6.5 ptp85 -157.24 -28.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.445 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.427 ' O ' ' N ' ' A' ' 21' ' ' VAL . 38.9 m-80 -129.4 -7.44 4.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.478 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.6 mp -54.18 -39.4 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -50.91 56.73 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.581 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -76.92 -21.42 54.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.751 0.31 . . . . 0.0 111.099 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' GLU . 62.7 t -88.33 -48.8 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.791 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 6.7 ttt -71.6 11.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' A' ' 21' ' ' VAL . 92.9 mt-10 -117.22 13.0 14.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.978 0.418 . . . . 0.0 110.125 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -45.93 135.04 6.65 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.352 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -41.0 -36.32 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.821 1.681 . . . . 0.0 112.679 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 4.0 mm? -66.79 -41.99 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -68.03 -32.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.516 -179.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.415 HG23 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.461 ' N ' ' CG2' ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.452 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.516 ' HH ' ' NZ ' ' A' ' 79' ' ' LYS . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.516 ' NZ ' ' HH ' ' A' ' 75' ' ' TYR . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' CD1' ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' N ' ' CD1' ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 106' ' ' ILE . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.415 HH11 HG23 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.13 -36.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.49 2.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.242 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.07 -55.4 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.53 -23.16 65.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.806 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.538 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -60.02 -29.46 68.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.248 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.758 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -77.42 -40.21 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.415 ' CD1' ' N ' ' A' ' 148' ' ' LEU . 10.9 mp -88.17 -42.66 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.538 ' N ' ' O ' ' A' ' 145' ' ' ALA . 2.4 p 32.87 67.5 1.04 Allowed Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.624 0.577 . . . . 0.0 111.262 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.71 -31.01 11.08 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.063 1.842 . . . . 0.0 111.793 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.824 -179.547 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -173.91 -159.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.374 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.8 80.15 1.15 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.536 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.8 mm? -85.24 80.95 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.965 0.412 . . . . 0.0 110.446 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 8' ' ' LEU . 88.2 p 50.09 176.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.177 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -145.85 17.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 tp 52.05 75.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.58 123.37 7.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.48 -72.75 0.24 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.61 -45.52 93.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.083 0.468 . . . . 0.0 110.742 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.447 ' O ' ' N ' ' A' ' 19' ' ' GLY . 21.4 t -71.22 -24.69 24.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.302 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -63.12 -48.54 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.501 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.54 -49.84 65.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.406 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 18' ' ' ILE . 1.4 mp -66.53 -44.78 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -57.83 -49.84 70.96 Favored Glycine 0 C--N 1.318 -0.444 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.57 -48.0 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -64.29 -46.4 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.313 0.578 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.609 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.7 ttt -60.63 -39.17 87.27 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -73.2 27.86 0.06 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 110.226 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.585 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -44.61 139.86 3.41 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.523 -178.39 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -44.29 -34.04 6.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.133 1.889 . . . . 0.0 112.926 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.2 -44.34 92.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 111.008 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -34.24 59.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.537 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.592 ' HG ' ' N ' ' A' ' 39' ' ' VAL . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.592 ' N ' ' HG ' ' A' ' 38' ' ' SER . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' O ' ' A' ' 48' ' ' MET . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . 0.4 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . 0.407 ' C ' ' N ' ' A' ' 89' ' ' LYS . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.602 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.602 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . 0.619 ' CD1' ' N ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . 0.424 ' N ' HD23 ' A' ' 115' ' ' LEU . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm -65.24 -42.69 94.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.84 -51.37 63.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.557 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.7 -47.29 75.89 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.409 0.623 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.78 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -58.01 -49.69 75.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.985 0.421 . . . . 0.0 110.185 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.32 -32.88 64.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.745 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.67 -48.18 82.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.54 81.2 17.66 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.16 78.06 3.32 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.444 2.096 . . . . 0.0 111.913 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.584 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -49.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.78 -146.98 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.92 171.91 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.984 0.421 . . . . 0.0 110.234 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -158.89 143.55 15.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 11' ' ' LEU . 63.1 t0 -76.79 132.94 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.257 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 5.5 tp -151.92 95.61 2.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.562 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.41 67.44 0.25 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -165.0 -27.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -65.63 -20.18 66.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.34 106.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.094 179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.602 ' C ' ' H ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -161.91 126.07 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.428 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 63.66 -10.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.602 ' H ' ' C ' ' A' ' 16' ' ' ARG . 47.1 mm -61.85 -44.32 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.74 -44.94 86.73 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -80.1 -44.18 20.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.959 0.409 . . . . 0.0 111.255 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.28 -27.59 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.323 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 22' ' ' MET . 1.2 tmt? -62.58 -13.63 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.762 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -103.92 29.12 6.08 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.511 ' ND1' ' HB2' ' A' ' 26' ' ' LEU . 4.4 p80 -42.64 151.57 0.38 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.168 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -39.1 -39.13 1.35 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.597 2.198 . . . . 0.0 113.375 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.511 ' HB2' ' ND1' ' A' ' 24' ' ' HIS . 10.9 mp -57.39 -45.17 84.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.957 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.403 ' CG2' ' NE2' ' A' ' 24' ' ' HIS . 19.0 t -66.3 -43.0 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.502 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.43 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.43 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.449 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.441 ' OG ' ' OD1' ' A' ' 82' ' ' ASP . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.618 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.432 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.432 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . 0.412 HG23 HD12 ' A' ' 131' ' ' ILE . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.638 ' HG ' ' N ' ' A' ' 133' ' ' ARG . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.638 ' N ' ' HG ' ' A' ' 132' ' ' SER . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 132' ' ' SER . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' ALA . 1.8 mp -64.08 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.02 86.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.855 0.36 . . . . 0.0 110.553 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 99.7 m-20 -61.93 -37.77 85.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -83.52 -29.36 27.98 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.461 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -57.13 -40.94 78.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.974 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 147' ' ' LYS . 36.6 p-10 -52.03 -30.92 27.56 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.713 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.543 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 20.3 ptmt -113.74 -15.27 12.48 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.686 ' O ' ' O ' ' A' ' 149' ' ' VAL . 4.7 tp -103.97 9.54 36.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.686 ' O ' ' O ' ' A' ' 148' ' ' LEU . 22.2 m 45.01 150.02 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 123.892 0.745 . . . . 0.0 112.057 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -43.03 -53.06 4.28 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 121.241 1.294 . . . . 0.0 112.368 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.9 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -105.57 -11.04 16.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.441 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 9' ' ' SER . . . -66.72 -55.81 15.72 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 mp 48.67 -85.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.869 0.366 . . . . 0.0 110.688 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p 48.34 21.73 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.91 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -108.39 -36.62 6.19 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.742 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.29 -48.82 84.08 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.35 48.36 3.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -155.97 -39.87 0.08 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 p -58.87 -30.88 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.326 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -73.74 -49.71 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.432 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -66.32 -14.4 61.98 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.706 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.4 tp -58.17 -36.29 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.24 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.46 58.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.11 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.11 -39.64 75.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.984 0.421 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.1 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.0 tpt -67.61 -6.26 19.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.36 -179.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -117.0 12.22 14.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.738 0.304 . . . . 0.0 110.229 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -46.6 128.26 8.23 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -39.68 -31.74 0.45 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.297 1.331 . . . . 0.0 113.023 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.55 -39.98 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG11 ' N ' ' A' ' 28' ' ' GLU . 1.2 p -64.38 -39.4 85.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' HG11 ' A' ' 27' ' ' VAL . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.463 ' N ' ' CG2' ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . 0.446 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.443 ' HG ' ' N ' ' A' ' 140' ' ' ALA . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.443 ' N ' ' HG ' ' A' ' 139' ' ' SER . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.96 -42.52 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.24 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.317 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.024 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -64.53 -40.83 96.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -66.3 -38.72 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.314 -179.434 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.52 -42.82 34.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.469 ' O ' ' O ' ' A' ' 149' ' ' VAL . 94.1 mt -80.38 -54.58 5.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.469 ' O ' ' O ' ' A' ' 148' ' ' LEU . 2.0 m 54.21 157.68 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.494 178.58 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.84 97.35 0.47 Allowed 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 122.007 1.805 . . . . 0.0 110.842 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.663 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' H3 ' ' CD2' ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -78.44 152.61 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -80.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt 54.87 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t 55.91 168.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.631 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 56.26 35.07 25.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.425 ' CD1' ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -66.04 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.972 -179.58 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.19 94.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.31 -43.1 98.92 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -64.29 -42.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.578 0.228 . . . . 0.0 111.351 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.41 65.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -148.45 -58.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.67 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.44 -21.45 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.933 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.28 -25.34 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.37 -63.23 2.79 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 119.823 -1.18 . . . . 0.0 111.442 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -87.95 -35.87 17.41 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 117.014 0.407 . . . . 0.0 111.338 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 95.2 t -63.24 -3.99 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.347 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.4 tpt -91.01 -41.59 11.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -107.09 15.39 25.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 3.8 p80 -45.19 143.38 2.56 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.064 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.06 -37.29 30.02 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 121.873 1.715 . . . . 0.0 112.72 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.517 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.0 tp -60.02 -26.66 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.401 ' CG1' ' N ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER -60.48 -42.05 89.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.125 -179.538 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.517 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.431 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.431 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.464 ' N ' ' CG2' ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.428 HD13 HG23 ' A' ' 67' ' ' ILE . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.419 ' CD1' ' N ' ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.433 ' O ' ' OG ' ' A' ' 139' ' ' SER . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.433 ' OG ' ' O ' ' A' ' 136' ' ' LYS . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.26 -41.06 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.32 59.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.925 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.57 -45.32 94.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.704 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.33 78.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -61.66 -26.32 67.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.54 -37.11 80.14 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.125 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -102.4 -27.73 12.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 10.6 mp -95.43 0.57 53.5 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 145' ' ' ALA . 2.6 t 64.5 132.78 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.69 153.73 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.832 1.688 . . . . 0.0 112.312 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.773 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 62.04 25.79 15.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.26 -11.81 71.69 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.511 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 3.9 mm? -72.62 156.8 38.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 58.09 116.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.816 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 10.3 p-10 -95.53 140.49 30.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.414 ' HG ' ' H ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -125.89 -79.29 0.6 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.917 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.414 ' H ' ' HG ' ' A' ' 11' ' ' LEU . . . 84.13 99.58 0.6 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.9 -24.16 25.73 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -87.83 3.91 46.5 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 43.6 t -130.87 -9.69 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.8 0.333 . . . . 0.0 110.517 -179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -62.76 -86.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -62.67 -39.63 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' MET . 96.5 mt -63.74 -45.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.87 -35.79 91.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.237 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.38 -50.99 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.2 -46.03 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.96 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 10.2 tpt -60.79 -22.09 63.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.474 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -112.55 27.22 9.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.397 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CE1' ' N ' ' A' ' 27' ' ' VAL . 9.6 p80 -49.35 148.87 4.24 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.626 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.97 -35.08 4.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.464 2.11 . . . . 0.0 112.634 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 9.2 mp -62.14 -30.54 71.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.404 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' CE1' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -61.06 -46.79 95.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.531 -179.163 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.479 ' N ' ' CG2' ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . 0.412 HG22 HD12 ' A' ' 67' ' ' ILE . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . 0.416 ' HB1' HH21 ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.497 ' N ' ' CD2' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.467 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.445 ' O ' ' OG ' ' A' ' 135' ' ' SER . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.416 HH21 ' HB1' ' A' ' 96' ' ' ALA . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 132' ' ' SER . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 145' ' ' ALA . 33.1 mm -65.56 -43.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.81 62.03 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.146 0.498 . . . . 0.0 111.012 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.19 -42.53 95.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.556 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.37 -22.29 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -61.87 -36.87 82.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.169 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.65 -37.81 85.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -79.68 -39.08 32.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.97 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.966 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 145' ' ' ALA . 13.0 t 55.41 73.17 0.9 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.467 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . 0.42 ' O ' ' HB2' ' A' ' 151' ' ' ARG . 48.5 Cg_exo -51.65 -79.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.569 2.179 . . . . 0.0 111.679 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . 0.42 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 31.3 ttt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.063 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' N ' ' CD2' ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.39 130.05 55.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.949 0.404 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -142.52 47.95 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -106.69 -44.35 4.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.737 0.303 . . . . 0.0 110.557 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.5 m -152.05 43.31 0.7 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.66 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t0 67.01 -67.67 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -148.27 90.4 1.81 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.686 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.14 163.54 48.09 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -38.46 95.99 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 14' ' ' ARG . 40.8 mtm105 -65.78 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.694 0.283 . . . . 0.0 110.248 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.77 -47.07 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.573 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -63.66 -44.15 94.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.6 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -48.34 79.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.131 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 22' ' ' MET . 25.7 mm -64.81 -44.69 96.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.87 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.11 -50.2 12.93 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.239 -0.982 . . . . 0.0 111.235 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.04 -45.14 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.139 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 81.0 t -77.48 -1.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.457 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.649 ' N ' ' O ' ' A' ' 18' ' ' ILE . 11.0 tpt -65.22 -42.84 93.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.436 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.1 13.27 35.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 110.772 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -44.14 150.35 0.62 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.177 179.271 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.5 -17.84 5.0 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 122.176 1.917 . . . . 0.0 112.572 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 30' ' ' GLY . 3.8 mm? -70.95 -27.84 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.758 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.31 -47.17 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 40' ' ' ILE . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.443 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.5 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.5 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . 0.44 ' N ' ' CD1' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.18 -42.31 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.65 68.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -62.05 -46.23 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.77 98.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.103 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.83 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.56 -41.07 98.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -81.38 -24.81 36.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.287 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 11.3 tp -70.43 -59.39 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 7.1 p -46.87 107.71 0.75 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.18 -42.03 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.51 1.474 . . . . 0.0 112.652 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.512 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.462 ' CG ' ' H ' ' A' ' 6' ' ' ARG . 3.5 tp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.462 ' H ' ' CG ' ' A' ' 5' ' ' LEU . 10.1 ptp180 -162.7 124.41 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 65.0 1.62 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -76.06 -105.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.265 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 p -170.87 39.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 10' ' ' ASP . 50.8 p-10 -82.09 139.34 34.48 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.555 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -163.03 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.711 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 72.77 102.85 0.07 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.3 -52.04 0.56 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.945 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.77 -19.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -77.24 -50.17 13.5 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.5 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -94.56 6.39 48.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.65 -29.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.73 -46.23 54.78 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.005 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' HIS . 93.0 m-20 -71.85 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 111.344 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -39.46 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.474 ' SD ' ' O ' ' A' ' 22' ' ' MET . 26.8 tpp -74.49 -29.35 61.39 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.6 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -107.65 10.27 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . 0.46 ' N ' ' O ' ' A' ' 20' ' ' ASP . 8.2 t-80 -48.68 135.33 13.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.538 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.74 -28.52 1.96 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.781 1.654 . . . . 0.0 112.527 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.96 -41.48 95.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 110.287 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -65.74 -34.78 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.009 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' O ' HG13 ' A' ' 42' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG13 ' O ' ' A' ' 39' ' ' VAL . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.516 ' HG1' ' CD1' ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.612 ' CD1' ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.526 ' CD ' ' HZ3' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.453 ' O ' ' OG ' ' A' ' 132' ' ' SER . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . 0.526 ' HZ3' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.44 -43.67 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.07 86.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.011 0.434 . . . . 0.0 110.253 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.15 -46.56 86.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.94 99.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.35 91.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.05 -35.33 80.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.72 -41.73 23.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.236 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 149' ' ' VAL . 7.5 mt -70.12 -59.16 3.07 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.4 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 148' ' ' LEU . 0.9 OUTLIER 50.06 160.69 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.917 0.761 . . . . 0.0 110.94 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.73 98.5 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.492 1.461 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.186 179.698 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' VAL . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' ILE . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 51' ' ' SER . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.809 ' OH ' HG22 ' A' ' 87' ' ' VAL . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.811 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.406 ' O ' HG23 ' A' ' 90' ' ' THR . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 83' ' ' PRO . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' TYR . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.657 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 98' ' ' VAL . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 115' ' ' LEU . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 121' ' ' LEU . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.562 HH22 HD13 ' A' ' 69' ' ' LEU . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.017 0.437 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' SER . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.597 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.597 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' O ' HG23 ' A' ' 90' ' ' THR . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 86' ' ' TYR . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.52 HD12 ' N ' ' A' ' 118' ' ' LEU . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 121' ' ' LEU . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.55 HD12 ' N ' ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 29' ' ' LEU . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' VAL . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' OH ' HG22 ' A' ' 87' ' ' VAL . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 79' ' ' LYS . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' HH11 ' A' ' 76' ' ' ARG . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.965 0.412 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.536 HD22 ' N ' ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.66 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 95' ' ' PRO . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 122' ' ' LEU . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 103' ' ' LEU . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 130' ' ' ILE . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 127' ' ' ILE . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.552 ' NH1' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 141' ' ' ILE . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 137' ' ' PHE . 95.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 37' ' ' LEU . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 58' ' ' LEU . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' ASP . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.524 ' OH ' HG22 ' A' ' 87' ' ' VAL . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG22 ' OH ' ' A' ' 73' ' ' TYR . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 94' ' ' ILE . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.557 ' CD1' HG23 ' A' ' 90' ' ' THR . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 121' ' ' LEU . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 141' ' ' ILE . 2.7 mp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.7 0.286 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 27' ' ' VAL . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LEU . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 130' ' ' ILE . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 40' ' ' ILE . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 34' ' ' ALA . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.589 ' CE2' HD22 ' A' ' 97' ' ' LEU . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' PRO . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 89' ' ' LYS . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 70' ' ' TRP . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 118' ' ' LEU . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 121' ' ' LEU . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 42' ' ' VAL . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' SER . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.549 ' OD1' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.684 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 83' ' ' PRO . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 115' ' ' LEU . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.805 0.336 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 40' ' ' ILE . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' N ' HG13 ' A' ' 39' ' ' VAL . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 37' ' ' LEU . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG21 HH21 ' A' ' 133' ' ' ARG . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' GLY . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 62' ' ' ASP . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' TYR . . . . . 0.602 ' H ' HD12 ' A' ' 91' ' ' LEU . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 129' ' ' LEU . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.555 HD11 ' CG1' ' A' ' 42' ' ' VAL . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.593 HH21 HG21 ' A' ' 42' ' ' VAL . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.4 mp . . . . . 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 137' ' ' PHE . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 42' ' ' VAL . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 35' ' ' ALA . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 58' ' ' LEU . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 38' ' ' SER . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 47' ' ' THR . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.736 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.601 ' O ' HD23 ' A' ' 55' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 64' ' ' ILE . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.476 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.476 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' ILE . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 83' ' ' PRO . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.637 HG23 ' HG3' ' A' ' 89' ' ' LYS . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.652 ' O ' HD22 ' A' ' 129' ' ' LEU . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 95' ' ' PRO . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 36' ' ' LEU . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 37' ' ' LEU . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 39' ' ' VAL . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.518 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 97' ' ' LEU . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' TRP . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 35' ' ' ALA . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 44' ' ' VAL . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' THR . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' ILE . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.502 ' N ' HG23 ' A' ' 47' ' ' THR . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 64' ' ' ILE . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.49 ' OH ' HG22 ' A' ' 87' ' ' VAL . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 ' OH ' ' A' ' 73' ' ' TYR . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.728 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.554 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ARG . . . . . 0.554 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.516 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 131' ' ' ILE . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' SER . . . . . 0.551 ' N ' HG23 ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' N ' HG13 ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 37' ' ' LEU . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' SER . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' VAL . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.546 ' N ' HG23 ' A' ' 47' ' ' THR . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.624 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 65' ' ' LEU . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 61' ' ' VAL . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 62' ' ' ASP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 83' ' ' PRO . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.477 HG21 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 47' ' ' THR . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 40' ' ' ILE . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.491 ' N ' HG23 ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 61' ' ' VAL . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 57' ' ' ARG . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' ASP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.53 ' OH ' HG22 ' A' ' 87' ' ' VAL . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.581 ' O ' HG23 ' A' ' 87' ' ' VAL . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.783 ' N ' HD12 ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 118' ' ' LEU . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 127' ' ' ILE . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.477 HH11 HG21 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.996 0.427 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 36' ' ' LEU . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 130' ' ' ILE . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' PRO . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 88' ' ' LYS . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 122' ' ' LEU . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.515 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LEU . . . . . 0.677 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.644 ' N ' HD22 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 103' ' ' LEU . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 95' ' ' PRO . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.406 ' CG2' HG11 ' A' ' 42' ' ' VAL . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.547 0.213 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 38' ' ' SER . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 47' ' ' THR . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 40' ' ' ILE . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASP . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.629 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 83' ' ' PRO . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.658 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.491 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' HE ' ' A' ' 133' ' ' ARG . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HE ' HD21 ' A' ' 129' ' ' LEU . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' SER . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 66' ' ' VAL . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 62' ' ' ASP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' A' ' 87' ' ' VAL . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.624 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 73' ' ' TYR . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.554 ' CE1' HD11 ' A' ' 113' ' ' LEU . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 HG22 ' A' ' 119' ' ' VAL . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 109' ' ' HIS . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.481 HG22 HD23 ' A' ' 110' ' ' LEU . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 123' ' ' ARG . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 137' ' ' PHE . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 41' ' ' VAL . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 40' ' ' ILE . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' THR . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 127' ' ' ILE . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.633 ' N ' HG23 ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' ' 90' ' ' THR . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 83' ' ' PRO . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 86' ' ' TYR . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB1' ' HE ' ' A' ' 133' ' ' ARG . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 113' ' ' LEU . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 109' ' ' HIS . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 46' ' ' TYR . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HE ' ' HB1' ' A' ' 96' ' ' ALA . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 43' ' ' VAL . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 38' ' ' SER . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 47' ' ' THR . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.562 ' N ' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 61' ' ' VAL . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' PRO . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ALA . . . . . 0.412 ' HB1' ' NH2' ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' A' ' 118' ' ' LEU . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.434 HH22 ' HE3' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.434 ' HE3' HH22 ' A' ' 133' ' ' ARG . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 33.1 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 t . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 27' ' ' VAL . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 37' ' ' LEU . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 39' ' ' VAL . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 33' ' ' TYR . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 36' ' ' LEU . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' N ' HG13 ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 130' ' ' ILE . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 40' ' ' ILE . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.425 ' SD ' HD21 ' A' ' 50' ' ' LEU . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' SD ' ' A' ' 48' ' ' MET . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 64' ' ' ILE . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' PRO . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 117' ' ' ARG . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' A' ' 42' ' ' VAL . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 39' ' ' VAL . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 64' ' ' ILE . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' OH ' HG22 ' A' ' 87' ' ' VAL . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PRO . . . . . 0.833 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 83' ' ' PRO . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.514 ' O ' HD13 ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CD ' ' HZ1' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.568 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' LEU . 79.5 ttt180 56.72 116.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.39 -149.39 16.85 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.587 HD23 ' H ' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -83.36 155.59 23.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.868 0.366 . . . . 0.0 110.075 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -152.39 163.26 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.305 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -133.3 132.64 41.6 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.237 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.73 95.73 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.95 -80.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.19 -37.54 24.11 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.42 -64.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.42 -20.78 23.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.99 -61.07 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 56.6 m-20 -63.92 -46.83 83.0 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.5 mp -67.36 -25.87 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.46 -58.09 5.19 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.477 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 8.5 p-10 -66.25 -19.03 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.87 -46.12 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.217 0.532 . . . . 0.0 110.45 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' HIS . 16.8 ttt -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -74.4 28.52 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.799 0.333 . . . . 0.0 110.461 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 22' ' ' MET . 24.7 t-80 -42.64 139.1 2.07 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.294 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 78.0 Cg_exo -39.49 -39.75 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.895 1.73 . . . . 0.0 112.481 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -65.47 -40.75 93.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.907 0.384 . . . . 0.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' HIS . 25.5 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.442 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' VAL . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' ILE . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 51' ' ' SER . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.467 ' N ' HD12 ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.809 ' OH ' HG22 ' A' ' 87' ' ' VAL . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.811 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' O ' HG23 ' A' ' 90' ' ' THR . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 83' ' ' PRO . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' TYR . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.657 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 98' ' ' VAL . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 115' ' ' LEU . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 121' ' ' LEU . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.562 HH22 HD13 ' A' ' 69' ' ' LEU . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.431 ' N ' ' CD1' ' A' ' 141' ' ' ILE . 1.3 mp -62.49 -43.8 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.96 -53.11 57.41 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.838 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.45 -42.24 83.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.62 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.653 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.57 88.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 149' ' ' VAL . 79.4 m-20 -62.4 -38.86 91.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.258 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -43.14 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' A' ' 149' ' ' VAL . 57.6 mt -65.51 -62.84 1.29 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.859 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.629 HG22 ' O ' ' A' ' 149' ' ' VAL . 1.9 p 16.64 74.48 0.16 Allowed Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.996 0.81 . . . . 0.0 110.93 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.51 -24.64 13.73 Favored 'Trans proline' 0 C--N 1.296 -2.229 0 C-N-CA 122.041 1.827 . . . . 0.0 112.373 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.622 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.465 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.28 152.79 45.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.07 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.36 7.89 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.68 132.46 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.261 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -102.24 52.58 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -69.01 144.03 54.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 67.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.405 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.83 -72.47 0.05 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.41 -45.0 97.01 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -62.7 -39.86 95.31 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.082 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.529 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 47.7 t -59.23 -44.53 92.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.995 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -62.93 -42.15 99.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.358 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.72 -40.79 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' MET . 23.4 mm -61.23 -43.31 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.181 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -47.39 85.86 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -75.48 -38.33 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.607 HG12 ' O ' ' A' ' 21' ' ' VAL . 89.7 t -79.82 -2.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ILE . 6.6 tpt -57.32 -2.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 21' ' ' VAL . 12.7 pt-20 -116.5 26.67 9.71 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.064 0.459 . . . . 0.0 109.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -46.64 133.67 8.08 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.233 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.3 -37.09 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.851 1.701 . . . . 0.0 112.698 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.01 -44.04 85.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -35.5 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.584 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' SER . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.597 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.597 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' A' ' 15' ' ' VAL . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' O ' HG23 ' A' ' 90' ' ' THR . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 86' ' ' TYR . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 121' ' ' LEU . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.674 HD23 ' O ' ' A' ' 122' ' ' LEU . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 1.4 tp -67.26 -31.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.79 -50.71 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.56 -47.74 66.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -50.32 -32.61 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.195 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 51.5 t0 -71.18 -40.18 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.654 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.36 -40.08 52.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 148' ' ' LEU . 10.9 mp -80.23 -59.47 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.747 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 6.0 t 58.46 70.49 1.2 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.4 -41.15 75.18 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.755 2.303 . . . . 0.0 112.138 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.631 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 -73.02 -24.03 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -60.84 0.18 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 mt 58.79 68.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 t -74.19 48.17 0.31 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.34 131.99 17.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.01 -43.88 97.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.563 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.35 129.65 5.86 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.21 -30.89 75.09 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 5.8 mmp_? -62.29 -41.81 98.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 0.0 110.423 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -43.56 96.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.362 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -59.07 -42.6 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' A' ' 14' ' ' ARG . 75.7 m-20 -63.01 -40.06 96.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.234 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' MET . 1.2 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.17 -49.54 71.39 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.16 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.09 -41.24 70.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.69 -35.6 56.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . 13.1 tpt -75.83 -28.12 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 76' ' ' ARG . 99.4 mt-10 -98.9 16.86 21.04 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.442 0.463 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -59.36 139.43 88.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.633 -178.711 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.88 -34.06 3.48 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.749 1.633 . . . . 0.0 112.677 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.46 -38.85 91.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.06 -38.62 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.894 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 29' ' ' LEU . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' VAL . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' OH ' HG22 ' A' ' 87' ' ' VAL . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 23' ' ' GLU . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' HH11 ' A' ' 76' ' ' ARG . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.19 -44.16 99.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.76 63.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.88 -47.91 34.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -62.53 -29.33 70.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -48.67 -37.17 17.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.7 -38.56 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -90.25 -20.58 22.81 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 149' ' ' VAL . 0.3 OUTLIER -77.08 -61.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 148' ' ' LEU . 4.2 t 26.88 73.13 0.38 Allowed Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.83 0.707 . . . . 0.0 110.887 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.1 115.75 3.81 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.322 2.014 . . . . 0.0 112.239 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.447 179.463 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' GLY . 4.4 mm? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 63.68 -65.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . 66.08 126.42 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -76.13 146.53 39.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.926 0.393 . . . . 0.0 110.325 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -150.85 173.22 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 12' ' ' GLY . 38.6 t0 -69.01 -142.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 7.0 tp 68.34 -36.5 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.332 0.395 . . . . 0.0 110.706 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 10' ' ' ASP . . . -59.92 -25.32 61.56 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.64 90.78 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.33 . . . . 0.0 110.696 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 t -64.91 -43.09 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -63.58 -39.51 94.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.2 m120 -61.96 -48.32 80.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.662 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' MET . 19.2 mm -67.39 -42.24 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.0 110.749 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.58 97.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.224 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' OE2' ' A' ' 23' ' ' GLU . 38.0 t0 -85.24 -18.58 33.57 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.845 0.323 . . . . 0.0 110.988 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.453 HG12 ' O ' ' A' ' 21' ' ' VAL . 54.4 t -97.25 -12.1 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.8 0.334 . . . . 0.0 110.519 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' MET . 15.2 ttt -100.77 6.11 43.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.291 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 22.4 pt-20 -88.49 27.88 1.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.52 140.09 4.39 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.444 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.94 -29.29 11.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.727 1.618 . . . . 0.0 112.466 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.56 -43.56 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.73 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -34.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.442 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.538 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.66 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 95' ' ' PRO . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 122' ' ' LEU . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 103' ' ' LEU . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 130' ' ' ILE . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 127' ' ' ILE . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.552 ' NH1' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 141' ' ' ILE . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 137' ' ' PHE . 95.6 mt -64.57 -43.44 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.07 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.19 -42.05 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -67.96 -41.52 82.31 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.64 71.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.718 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.37 -50.96 70.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.916 0.388 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.07 -33.47 75.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.138 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' ALA . 46.6 tp -71.31 -51.86 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 22.8 t -84.02 120.72 75.23 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.561 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.87 -70.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.867 1.711 . . . . 0.0 112.225 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.651 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.475 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -144.15 122.87 12.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 90.3 0.08 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 9' ' ' SER . 9.4 tp -120.9 107.6 12.89 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 8' ' ' LEU . 48.5 t 51.11 169.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -149.44 118.87 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -172.2 71.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.4 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.53 -28.76 5.0 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 56.04 0.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.05 -27.71 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.713 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -64.68 -38.79 92.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.2 -53.51 4.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.3 mm -62.9 -43.29 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.503 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.91 -60.45 4.96 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 111.741 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.02 -25.89 38.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.673 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 20.1 ttp -89.2 -41.39 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.165 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -95.14 29.13 2.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 27' ' ' VAL . 6.3 p80 -44.9 151.51 0.63 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.985 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.41 -39.8 1.84 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.79 -46.79 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.689 -0.405 . . . . 0.0 109.987 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG23 ' CE1' ' A' ' 24' ' ' HIS . 2.1 t -64.09 -44.42 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.147 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 37' ' ' LEU . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.562 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.62 HD23 ' C ' ' A' ' 58' ' ' LEU . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' ASP . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.524 ' OH ' HG22 ' A' ' 87' ' ' VAL . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.61 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG22 ' OH ' ' A' ' 73' ' ' TYR . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 94' ' ' ILE . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.557 ' CD1' HG23 ' A' ' 90' ' ' THR . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.449 ' N ' HD12 ' A' ' 121' ' ' LEU . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 141' ' ' ILE . 2.7 mp -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.08 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.589 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -64.09 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.5 98.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.051 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.62 85.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.596 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -58.52 -48.54 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.557 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.7 mt -64.28 -44.21 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.357 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.92 77.17 72.51 Favored Pre-proline 0 CA--C 1.53 0.173 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.78 15.22 1.32 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.631 2.22 . . . . 0.0 111.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.241 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' CA ' ' HE ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER 54.47 26.14 6.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.407 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.39 87.33 0.08 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt 58.46 156.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.06 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -64.79 -33.69 76.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.325 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.18 127.29 31.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.19 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.67 33.66 4.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.401 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.76 -0.92 60.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.76 -51.84 56.57 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -66.06 -37.58 86.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.793 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.5 t -70.62 -23.58 24.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.922 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -59.8 -49.01 79.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.794 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 2.9 p-10 -75.12 -49.75 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.418 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.63 -45.02 99.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -64.39 -50.98 56.42 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.762 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.411 -0.464 . . . . 0.0 110.685 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.93 -42.24 88.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.511 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 4.3 ttp -86.14 -9.54 56.45 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' GLY . 24.4 tp10 -112.75 28.11 9.07 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' HG12 ' A' ' 27' ' ' VAL . 47.7 t-80 -54.66 132.52 64.76 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 120.625 -0.43 . . . . 0.0 109.942 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -39.22 -35.33 0.67 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.946 1.764 . . . . 0.0 113.118 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.47 -39.65 81.3 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -65.25 -33.25 62.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.938 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 27' ' ' VAL . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LEU . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 130' ' ' ILE . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 40' ' ' ILE . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 34' ' ' ALA . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.589 ' CE2' HD22 ' A' ' 97' ' ' LEU . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' PRO . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 89' ' ' LYS . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 70' ' ' TRP . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 118' ' ' LEU . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 121' ' ' LEU . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 42' ' ' VAL . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' A' ' 141' ' ' ILE . 1.3 mp -64.33 -45.15 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.11 98.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.901 0.382 . . . . 0.0 110.199 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -64.79 -45.8 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.768 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.17 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.76 86.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.213 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 52.6 t0 -63.06 -38.72 92.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -76.76 -41.71 43.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.794 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.18 -53.59 10.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 3.2 t 52.96 60.19 12.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.46 146.39 44.45 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.547 2.164 . . . . 0.0 111.724 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.258 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.564 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -75.41 148.56 39.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.053 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.4 -179.2 0.27 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp 54.36 92.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 p -164.8 -40.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.42 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -99.33 111.93 24.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.554 HD23 ' N ' ' A' ' 11' ' ' LEU . 0.1 OUTLIER -103.01 -90.79 0.36 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.987 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 63.1 138.12 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.39 -40.52 0.61 Allowed Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' GLY . 16.9 mmm-85 -63.01 -31.44 72.58 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.87 -46.92 93.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.867 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.68 -39.64 88.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -63.14 -44.67 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 22' ' ' MET . 94.3 mt -64.98 -44.31 96.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.42 -51.69 52.79 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.373 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.73 -44.27 90.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.8 t -76.06 -20.64 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.764 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.1 tmt? -95.12 -9.06 34.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.733 0.301 . . . . 0.0 111.053 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -120.16 -5.32 9.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.417 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . 17.1 t-80 -46.31 135.09 7.29 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.216 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -46.76 -33.6 14.15 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.337 1.358 . . . . 0.0 112.389 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -64.91 -39.66 93.87 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.77 -35.28 70.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 -179.528 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' SER . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.549 ' OD1' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.684 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 83' ' ' PRO . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.546 ' N ' HD12 ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 115' ' ' LEU . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.43 -42.02 86.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.36 45.38 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.446 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.47 -46.08 87.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' O ' HD13 ' A' ' 148' ' ' LEU . . . -64.25 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.6 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -65.87 -31.53 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.127 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -79.75 -39.37 31.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 149' ' ' VAL . 7.3 mp -67.06 -60.47 2.6 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.568 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 148' ' ' LEU . 0.4 OUTLIER 19.49 78.83 0.16 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 123.805 0.691 . . . . 0.0 111.381 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.22 -21.18 13.88 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.235 1.957 . . . . 0.0 112.344 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.601 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -156.11 113.18 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 75.09 -12.92 6.13 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -119.04 133.16 55.98 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t 49.12 34.2 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.675 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 16.7 p-10 -129.08 114.66 16.64 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 17' ' ' ASN . 8.2 tp -82.75 -109.05 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' HA3' ' H ' ' A' ' 17' ' ' ASN . . . -142.11 26.91 2.31 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.52 24.67 32.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.384 -1.087 . . . . 0.0 110.384 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 62.79 28.23 16.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.375 0.607 . . . . 0.0 109.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -147.43 -63.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.7 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 30.9 mmm-85 -48.13 -64.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.296 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.494 ' H ' ' HA3' ' A' ' 12' ' ' GLY . 71.8 m-20 -63.4 -43.55 97.21 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -62.35 -47.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.513 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.14 59.12 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.703 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 16' ' ' ARG . 2.3 m-20 -66.05 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.698 0.285 . . . . 0.0 110.818 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.3 t -92.14 -53.0 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.686 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -12.12 45.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.674 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -107.98 23.05 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' O ' HG12 ' A' ' 27' ' ' VAL . 10.5 t-80 -45.94 132.67 6.97 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.001 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -42.15 -31.92 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.886 1.724 . . . . 0.0 112.744 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.53 -42.26 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -67.58 -34.77 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 40' ' ' ILE . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' N ' HG13 ' A' ' 39' ' ' VAL . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 37' ' ' LEU . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG21 HH21 ' A' ' 133' ' ' ARG . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' GLY . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 62' ' ' ASP . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' TYR . . . . . 0.602 ' H ' HD12 ' A' ' 91' ' ' LEU . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.438 HD23 ' C ' ' A' ' 129' ' ' LEU . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.555 HD11 ' CG1' ' A' ' 42' ' ' VAL . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.593 HH21 HG21 ' A' ' 42' ' ' VAL . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.509 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.4 mp -66.21 -42.52 91.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.43 -47.56 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.653 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 111.203 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.35 79.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -57.44 -34.35 68.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.388 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -79.67 -39.48 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.234 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.4 mm? -79.95 -50.76 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.257 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.655 HG22 ' O ' ' A' ' 149' ' ' VAL . 2.2 p 32.25 71.01 0.68 Allowed Pre-proline 0 N--CA 1.465 0.308 0 O-C-N 123.463 0.477 . . . . 0.0 110.682 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.77 137.97 71.55 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.135 1.89 . . . . 0.0 111.722 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.359 179.031 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -60.59 111.24 1.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 9' ' ' SER . . . 167.04 -114.44 0.58 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 tp 68.53 -42.66 0.48 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 7' ' ' GLY . 7.0 p -61.22 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -92.47 103.99 16.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -88.43 -84.47 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.333 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 90.8 167.14 41.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.26 -59.69 1.36 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NE ' ' CD1' ' A' ' 11' ' ' LEU . 35.5 ptt180 -64.83 -41.0 96.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 16' ' ' ARG . 84.3 t -60.9 -60.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 15' ' ' VAL . 50.5 ttm-85 22.52 -118.04 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.868 0.73 . . . . 0.0 111.776 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.32 31.86 3.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 19' ' ' GLY . 10.2 tp -52.03 -40.59 29.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 O-C-N 123.601 0.563 . . . . 0.0 110.776 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 18' ' ' ILE . . . -56.15 -58.65 13.18 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.136 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.09 -42.65 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.8 -47.37 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 24' ' ' HIS . 6.7 tpt -62.31 -40.21 95.55 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.646 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.8 25.41 0.09 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.15 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.7 OUTLIER -47.19 145.78 3.41 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -42.08 -42.45 7.14 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.59 1.526 . . . . 0.0 112.559 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.8 -41.4 97.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.445 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 22' ' ' MET . 2.3 t -63.0 -42.95 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 137' ' ' PHE . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 42' ' ' VAL . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 35' ' ' ALA . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 58' ' ' LEU . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 38' ' ' SER . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 47' ' ' THR . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.736 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.601 ' O ' HD23 ' A' ' 55' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.682 HD23 ' C ' ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.521 ' N ' HD12 ' A' ' 64' ' ' ILE . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.476 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.476 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' ILE . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 83' ' ' PRO . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.637 HG23 ' HG3' ' A' ' 89' ' ' LYS . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.652 ' O ' HD22 ' A' ' 129' ' ' LEU . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 95' ' ' PRO . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 36' ' ' LEU . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.456 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp -63.8 -44.07 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.68 -50.49 68.1 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.361 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -66.49 -43.13 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.93 99.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.901 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.58 87.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.17 -34.33 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.277 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.98 -37.14 29.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.73 -58.75 3.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.772 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.1 t 45.22 80.02 0.31 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 151' ' ' ARG . 61.1 Cg_endo -75.3 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 121.81 1.673 . . . . 0.0 111.665 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 150' ' ' PRO . 20.5 ttm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.305 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 148.25 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.48 129.08 48.96 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 9' ' ' SER . 1.3 tt -139.78 121.42 15.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.0 p 75.03 97.65 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.349 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -146.21 128.15 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -166.88 -55.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.609 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.87 55.0 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.41 90.7 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -60.23 -45.82 91.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.99 0.424 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.32 -40.53 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.273 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.46 -46.05 84.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.71 -51.98 59.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 22' ' ' MET . 81.6 mt -64.12 -49.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.88 42.09 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.22 -37.19 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.878 0.37 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.512 HG12 ' O ' ' A' ' 21' ' ' VAL . 54.1 t -82.64 -7.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.883 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' ILE . 12.1 tpt -89.11 -16.95 30.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -113.0 -22.9 10.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.484 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.6 t-80 -47.12 133.72 9.07 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -41.22 -27.13 0.36 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.353 2.035 . . . . 0.0 112.547 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -66.8 -34.49 77.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.173 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' HIS . 5.0 p -60.83 -34.29 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.762 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 37' ' ' LEU . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 39' ' ' VAL . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.518 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 97' ' ' LEU . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.448 ' CD1' ' O ' ' A' ' 86' ' ' TYR . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' TRP . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.514 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.533 ' O ' HD13 ' A' ' 125' ' ' LEU . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.549 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp -65.48 -44.01 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 138' ' ' LEU . . . -55.64 -40.78 72.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.478 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.54 -48.83 79.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.58 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.11 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -69.11 -40.15 78.53 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -43.66 72.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.24 -41.98 76.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.4 mt -96.03 -6.11 39.5 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' A' ' 145' ' ' ALA . 0.5 OUTLIER 76.55 133.61 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.781 -179.728 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.53 139.19 38.58 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.943 1.762 . . . . 0.0 112.029 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.5 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -147.48 168.15 22.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.17 96.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -102.82 130.82 49.95 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.733 0.302 . . . . 0.0 110.297 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -152.45 31.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.2 t0 43.41 89.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -71.48 -83.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.988 -179.513 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.23 -27.32 5.13 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.16 97.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -62.32 -36.21 81.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.645 0.259 . . . . 0.0 110.461 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.45 -44.86 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 18' ' ' ILE . 68.9 mtp85 -72.32 154.56 40.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.784 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 71.42 -21.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.647 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.52 ' H ' ' C ' ' A' ' 16' ' ' ARG . 1.8 tp -67.55 -38.27 80.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 110.365 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.41 -48.32 65.16 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.07 -42.03 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.457 HG12 ' O ' ' A' ' 21' ' ' VAL . 47.5 t -67.53 -9.85 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.481 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.6 mmt -79.51 -4.4 51.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.532 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -121.73 -5.3 9.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.453 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t-80 -46.09 134.16 7.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.724 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -41.28 -31.4 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 121.813 1.675 . . . . 0.0 112.542 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -68.34 -35.57 71.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.737 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 35' ' ' ALA . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 44' ' ' VAL . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' THR . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' ILE . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.502 ' N ' HG23 ' A' ' 47' ' ' THR . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 64' ' ' ILE . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.49 ' OH ' HG22 ' A' ' 87' ' ' VAL . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 ' OH ' ' A' ' 73' ' ' TYR . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.728 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.554 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.554 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.516 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 131' ' ' ILE . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' SER . . . . . 0.551 ' N ' HG23 ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp -62.63 -29.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.04 -55.52 16.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.708 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -64.02 -41.83 97.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 148' ' ' LEU . . . -64.78 -46.1 83.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.767 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.02 74.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -51.22 69.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.132 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.46 -37.36 28.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.175 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 144' ' ' ALA . 13.8 tp -66.54 -52.77 42.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.033 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 149' ' ' VAL . 7.1 p -175.47 96.78 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.115 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.67 146.79 25.91 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.331 2.021 . . . . 0.0 112.169 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 151' ' ' ARG . 42.9 ttp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -61.09 -24.56 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.72 -26.89 65.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.5 mm? -81.79 134.46 35.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.071 0.463 . . . . 0.0 110.564 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 t -70.76 11.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' LEU . 57.2 t0 -54.49 -39.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 13' ' ' GLY . 34.4 tp -52.46 -70.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.108 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.6 33.71 0.39 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' HG ' ' A' ' 11' ' ' LEU . . . -110.74 -53.75 0.55 Allowed Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -68.02 -20.25 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' ILE . 48.8 t -60.08 -25.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.731 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -63.97 -36.75 85.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.11 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 30.2 m120 -63.09 -31.12 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.6 tp -52.02 -27.31 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.403 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.88 -55.67 15.94 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.59 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 38.2 p-10 -86.21 -4.77 59.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.794 0.297 . . . . 0.0 111.221 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 37.2 t -95.84 -49.44 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.829 0.347 . . . . 0.0 110.408 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -55.78 -29.76 60.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -101.62 15.53 28.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.662 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -43.92 151.45 0.51 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.157 178.933 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.28 -28.72 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.241 1.961 . . . . 0.0 112.602 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.074 -179.136 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG23 ' NE2' ' A' ' 24' ' ' HIS . 56.1 t -79.74 -43.69 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.03 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' N ' HG13 ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 37' ' ' LEU . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' SER . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' VAL . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.546 ' N ' HG23 ' A' ' 47' ' ' THR . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.624 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 65' ' ' LEU . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 61' ' ' VAL . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 62' ' ' ASP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 83' ' ' PRO . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.515 ' N ' HD12 ' A' ' 141' ' ' ILE . 1.5 mp -64.1 -44.52 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.38 67.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.02 -41.03 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.13 94.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.02 79.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.63 -46.64 89.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.76 -28.9 44.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.741 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.5 -47.62 84.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.44 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.557 HG22 ' O ' ' A' ' 149' ' ' VAL . 2.1 p -127.24 79.97 72.34 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.752 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.75 -39.35 84.04 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.307 2.005 . . . . 0.0 111.831 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.594 ' N ' HD22 ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -62.51 -35.76 80.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.3 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 -60.78 4.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -64.44 -37.87 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 10' ' ' ASP . 94.7 p 51.51 -168.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 23.8 t70 56.16 114.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 110.457 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -60.32 -36.55 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.999 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.02 -39.0 4.93 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . . . -68.81 -36.86 83.16 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' NH2' HH12 ' A' ' 16' ' ' ARG . 6.7 mmp_? -64.62 -37.02 86.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.461 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.83 97.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.674 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.574 HH12 ' NH2' ' A' ' 14' ' ' ARG . 6.5 ptp85 -157.24 -28.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.445 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 21.5 m120 -129.4 -7.44 4.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.6 mp -54.18 -39.4 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -50.91 56.73 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.581 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -76.92 -21.42 54.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.751 0.31 . . . . 0.0 111.099 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' GLU . 62.7 t -88.33 -48.8 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.791 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.577 ' O ' HG11 ' A' ' 27' ' ' VAL . 6.7 ttt -71.6 11.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' VAL . 92.9 mt-10 -117.22 13.0 14.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.978 0.418 . . . . 0.0 110.125 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 27' ' ' VAL . 36.1 t-80 -45.93 135.04 6.65 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.352 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -41.0 -36.32 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.821 1.681 . . . . 0.0 112.679 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.0 mm? -66.79 -41.99 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG11 ' O ' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.03 -32.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.516 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.477 HG21 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 47' ' ' THR . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 40' ' ' ILE . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.491 ' N ' HG23 ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 61' ' ' VAL . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 57' ' ' ARG . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' ASP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' OH ' HG22 ' A' ' 87' ' ' VAL . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.581 ' O ' HG23 ' A' ' 87' ' ' VAL . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.783 ' N ' HD12 ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.512 HD23 ' O ' ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 118' ' ' LEU . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 127' ' ' ILE . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.477 HH11 HG21 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.13 -36.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.49 2.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.242 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.07 -55.4 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.53 -23.16 65.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.806 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -60.02 -29.46 68.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.248 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.758 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -77.42 -40.21 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 148' ' ' LEU . 10.9 mp -88.17 -42.66 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.689 HG22 ' O ' ' A' ' 149' ' ' VAL . 2.4 p 32.87 67.5 1.04 Allowed Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.624 0.577 . . . . 0.0 111.262 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.71 -31.01 11.08 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.063 1.842 . . . . 0.0 111.793 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.824 -179.547 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -173.91 -159.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.374 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.8 80.15 1.15 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.8 mm? -85.24 80.95 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.965 0.412 . . . . 0.0 110.446 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 8' ' ' LEU . 88.2 p 50.09 176.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.177 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -145.85 17.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 tp 52.05 75.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.58 123.37 7.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.48 -72.75 0.24 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.61 -45.52 93.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.083 0.468 . . . . 0.0 110.742 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLY . 21.4 t -71.22 -24.69 24.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.302 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -63.12 -48.54 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.501 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.54 -49.84 65.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.406 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.4 mp -66.53 -44.78 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -57.83 -49.84 70.96 Favored Glycine 0 C--N 1.318 -0.444 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.57 -48.0 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -64.29 -46.4 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.313 0.578 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.609 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.7 ttt -60.63 -39.17 87.27 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -73.2 27.86 0.06 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 110.226 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -44.61 139.86 3.41 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.523 -178.39 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -44.29 -34.04 6.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.133 1.889 . . . . 0.0 112.926 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.2 -44.34 92.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 111.008 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -34.24 59.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.537 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' C ' ' A' ' 36' ' ' LEU . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 130' ' ' ILE . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' PRO . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 88' ' ' LYS . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 122' ' ' LEU . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.515 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LEU . . . . . 0.677 ' H ' HD13 ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.644 ' N ' HD22 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 103' ' ' LEU . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 95' ' ' PRO . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.406 ' CG2' HG11 ' A' ' 42' ' ' VAL . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm -65.24 -42.69 94.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.84 -51.37 63.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.557 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.7 -47.29 75.89 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.409 0.623 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.78 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -58.01 -49.69 75.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.985 0.421 . . . . 0.0 110.185 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.32 -32.88 64.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.745 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.67 -48.18 82.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.54 81.2 17.66 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.16 78.06 3.32 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.444 2.096 . . . . 0.0 111.913 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.584 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -49.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.78 -146.98 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD12 ' O ' ' A' ' 8' ' ' LEU . 0.3 OUTLIER -94.92 171.91 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.984 0.421 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -158.89 143.55 15.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 11' ' ' LEU . 63.1 t0 -76.79 132.94 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.257 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 5.5 tp -151.92 95.61 2.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.562 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.41 67.44 0.25 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -165.0 -27.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -65.63 -20.18 66.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG13 ' NZ ' ' A' ' 79' ' ' LYS . 97.4 t -89.34 106.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.094 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -161.91 126.07 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.428 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 63.66 -10.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.574 ' H ' ' C ' ' A' ' 16' ' ' ARG . 47.1 mm -61.85 -44.32 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.74 -44.94 86.73 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -80.1 -44.18 20.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.959 0.409 . . . . 0.0 111.255 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.28 -27.59 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.323 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.491 ' O ' ' SD ' ' A' ' 22' ' ' MET . 1.2 tmt? -62.58 -13.63 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.762 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -103.92 29.12 6.08 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.679 ' NE2' HG23 ' A' ' 27' ' ' VAL . 4.4 p80 -42.64 151.57 0.38 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.168 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -39.1 -39.13 1.35 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.597 2.198 . . . . 0.0 113.375 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' HB2' ' ND1' ' A' ' 24' ' ' HIS . 10.9 mp -57.39 -45.17 84.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.957 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' NE2' ' A' ' 24' ' ' HIS . 19.0 t -66.3 -43.0 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.502 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 38' ' ' SER . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 47' ' ' THR . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 40' ' ' ILE . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASP . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' NZ ' HG13 ' A' ' 15' ' ' VAL . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.629 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 83' ' ' PRO . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.658 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.491 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' HE ' ' A' ' 133' ' ' ARG . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HE ' HD21 ' A' ' 129' ' ' LEU . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' ALA . 1.8 mp -64.08 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.02 86.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.855 0.36 . . . . 0.0 110.553 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 99.7 m-20 -61.93 -37.77 85.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -83.52 -29.36 27.98 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.461 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -57.13 -40.94 78.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.974 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 147' ' ' LYS . 36.6 p-10 -52.03 -30.92 27.56 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.713 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.543 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 20.3 ptmt -113.74 -15.27 12.48 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.686 ' O ' ' O ' ' A' ' 149' ' ' VAL . 4.7 tp -103.97 9.54 36.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.686 ' O ' ' O ' ' A' ' 148' ' ' LEU . 22.2 m 45.01 150.02 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 123.892 0.745 . . . . 0.0 112.057 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -43.03 -53.06 4.28 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 121.241 1.294 . . . . 0.0 112.368 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.9 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -105.57 -11.04 16.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.441 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 9' ' ' SER . . . -66.72 -55.81 15.72 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.8 mp 48.67 -85.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.869 0.366 . . . . 0.0 110.688 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p 48.34 21.73 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.91 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -108.39 -36.62 6.19 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.742 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.29 -48.82 84.08 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.35 48.36 3.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -155.97 -39.87 0.08 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.8 p -58.87 -30.88 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.326 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -73.74 -49.71 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.432 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -66.32 -14.4 61.98 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.706 -179.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 tp -58.17 -36.29 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.46 58.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.11 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.11 -39.64 75.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.984 0.421 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.1 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.546 ' O ' HG11 ' A' ' 27' ' ' VAL . 9.0 tpt -67.61 -6.26 19.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.36 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -117.0 12.22 14.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.738 0.304 . . . . 0.0 110.229 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' O ' HG12 ' A' ' 27' ' ' VAL . 16.0 t60 -46.6 128.26 8.23 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -39.68 -31.74 0.45 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.297 1.331 . . . . 0.0 113.023 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.55 -39.98 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 22' ' ' MET . 1.2 p -64.38 -39.4 85.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' SER . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 66' ' ' VAL . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 62' ' ' ASP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' A' ' 87' ' ' VAL . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.624 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 73' ' ' TYR . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.554 ' CE1' HD11 ' A' ' 113' ' ' LEU . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 HG22 ' A' ' 119' ' ' VAL . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 109' ' ' HIS . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.481 HG22 HD23 ' A' ' 110' ' ' LEU . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.539 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 123' ' ' ARG . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.96 -42.52 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.24 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.317 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.024 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.83 96.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 149' ' ' VAL . 14.6 m-20 -66.3 -38.72 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.314 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.52 -42.82 34.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.55 ' C ' HG13 ' A' ' 149' ' ' VAL . 94.1 mt -80.38 -54.58 5.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.55 HG13 ' C ' ' A' ' 148' ' ' LEU . 2.0 m 54.21 157.68 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.494 178.58 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.84 97.35 0.47 Allowed 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 122.007 1.805 . . . . 0.0 110.842 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.663 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.432 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -78.44 152.61 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -80.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt 54.87 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t 55.91 168.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.631 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 56.26 35.07 25.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -66.04 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.972 -179.58 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.19 94.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.31 -43.1 98.92 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -64.29 -42.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.578 0.228 . . . . 0.0 111.351 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.41 65.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -148.45 -58.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.67 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.44 -21.45 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.933 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.28 -25.34 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.37 -63.23 2.79 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 119.823 -1.18 . . . . 0.0 111.442 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -87.95 -35.87 17.41 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 117.014 0.407 . . . . 0.0 111.338 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.542 HG12 ' O ' ' A' ' 21' ' ' VAL . 95.2 t -63.24 -3.99 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.347 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.4 tpt -91.01 -41.59 11.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -107.09 15.39 25.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 3.8 p80 -45.19 143.38 2.56 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.064 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.06 -37.29 30.02 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 121.873 1.715 . . . . 0.0 112.72 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.0 tp -60.02 -26.66 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.48 -42.05 89.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.125 -179.538 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 137' ' ' PHE . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 41' ' ' VAL . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 40' ' ' ILE . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' THR . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 127' ' ' ILE . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.633 ' N ' HG23 ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' ' 90' ' ' THR . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 83' ' ' PRO . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 86' ' ' TYR . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB1' ' HE ' ' A' ' 133' ' ' ARG . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 113' ' ' LEU . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 109' ' ' HIS . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 46' ' ' TYR . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HE ' ' HB1' ' A' ' 96' ' ' ALA . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.26 -41.06 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.32 59.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.925 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.57 -45.32 94.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.704 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.33 78.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -61.66 -26.32 67.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.54 -37.11 80.14 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.125 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -102.4 -27.73 12.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.446 ' C ' HG23 ' A' ' 149' ' ' VAL . 10.6 mp -95.43 0.57 53.5 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 145' ' ' ALA . 2.6 t 64.5 132.78 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.69 153.73 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.832 1.688 . . . . 0.0 112.312 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.773 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 62.04 25.79 15.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.26 -11.81 71.69 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.9 mm? -72.62 156.8 38.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 58.09 116.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.816 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 10.3 p-10 -95.53 140.49 30.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.89 -79.29 0.6 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.917 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.13 99.58 0.6 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.9 -24.16 25.73 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -87.83 3.91 46.5 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 ' O ' HG12 ' A' ' 15' ' ' VAL . 43.6 t -130.87 -9.69 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.8 0.333 . . . . 0.0 110.517 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -62.76 -86.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -62.67 -39.63 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' MET . 96.5 mt -63.74 -45.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.87 -35.79 91.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.237 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.38 -50.99 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.2 -46.03 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.96 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 10.2 tpt -60.79 -22.09 63.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.474 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -112.55 27.22 9.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.397 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CE1' ' N ' ' A' ' 27' ' ' VAL . 9.6 p80 -49.35 148.87 4.24 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.626 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.97 -35.08 4.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.464 2.11 . . . . 0.0 112.634 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB2' ' ND1' ' A' ' 24' ' ' HIS . 9.2 mp -62.14 -30.54 71.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.404 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' CE1' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -61.06 -46.79 95.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.531 -179.163 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 43' ' ' VAL . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 38' ' ' SER . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 47' ' ' THR . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.562 ' N ' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 61' ' ' VAL . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' PRO . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ALA . . . . . 0.412 ' HB1' ' NH2' ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.536 ' N ' HD12 ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' A' ' 118' ' ' LEU . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.494 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.553 ' O ' HD13 ' A' ' 122' ' ' LEU . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.434 HH22 ' HE3' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.434 ' HE3' HH22 ' A' ' 133' ' ' ARG . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 145' ' ' ALA . 33.1 mm -65.56 -43.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.81 62.03 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.146 0.498 . . . . 0.0 111.012 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.19 -42.53 95.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.556 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.37 -22.29 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -61.87 -36.87 82.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.169 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.65 -37.81 85.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -79.68 -39.08 32.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.97 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.966 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 13.0 t 55.41 73.17 0.9 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' PRO . . . . . 0.431 ' O ' ' HB2' ' A' ' 151' ' ' ARG . 48.5 Cg_exo -51.65 -79.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.569 2.179 . . . . 0.0 111.679 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 31.3 ttt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.063 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' N ' HD22 ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.39 130.05 55.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.949 0.404 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -142.52 47.95 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -106.69 -44.35 4.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.737 0.303 . . . . 0.0 110.557 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.5 m -152.05 43.31 0.7 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.66 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t0 67.01 -67.67 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -148.27 90.4 1.81 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.686 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.14 163.54 48.09 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -38.46 95.99 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 14' ' ' ARG . 40.8 mtm105 -65.78 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.694 0.283 . . . . 0.0 110.248 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.77 -47.07 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.573 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -63.66 -44.15 94.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.6 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -48.34 79.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.131 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 22' ' ' MET . 25.7 mm -64.81 -44.69 96.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.87 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.11 -50.2 12.93 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.239 -0.982 . . . . 0.0 111.235 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.04 -45.14 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.139 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 21' ' ' VAL . 81.0 t -77.48 -1.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.457 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.649 ' N ' ' O ' ' A' ' 18' ' ' ILE . 11.0 tpt -65.22 -42.84 93.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.436 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.1 13.27 35.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 110.772 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -44.14 150.35 0.62 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.177 179.271 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.5 -17.84 5.0 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 122.176 1.917 . . . . 0.0 112.572 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 30' ' ' GLY . 3.8 mm? -70.95 -27.84 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.758 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 22' ' ' MET . 1.2 t -60.31 -47.17 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 27' ' ' VAL . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 37' ' ' LEU . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 39' ' ' VAL . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 33' ' ' TYR . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 36' ' ' LEU . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' N ' HG13 ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 130' ' ' ILE . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 40' ' ' ILE . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.425 ' SD ' HD21 ' A' ' 50' ' ' LEU . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' SD ' ' A' ' 48' ' ' MET . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.5 ' O ' HD13 ' A' ' 55' ' ' LEU . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.443 ' N ' HD12 ' A' ' 64' ' ' ILE . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 18' ' ' ILE . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' PRO . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 117' ' ' ARG . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' A' ' 42' ' ' VAL . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.18 -42.31 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.65 68.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -62.05 -46.23 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.77 98.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.103 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.83 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.56 -41.07 98.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -81.38 -24.81 36.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.287 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 11.3 tp -70.43 -59.39 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 149' ' ' VAL . 7.1 p -46.87 107.71 0.75 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.18 -42.03 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.51 1.474 . . . . 0.0 112.652 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.512 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' CG ' ' H ' ' A' ' 6' ' ' ARG . 3.5 tp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' A' ' 5' ' ' LEU . 10.1 ptp180 -162.7 124.41 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 65.0 1.62 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -76.06 -105.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.265 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.425 ' O ' HD23 ' A' ' 11' ' ' LEU . 46.8 p -170.87 39.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' A' ' 10' ' ' ASP . 50.8 p-10 -82.09 139.34 34.48 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -163.03 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.711 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 72.77 102.85 0.07 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.3 -52.04 0.56 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.945 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.77 -19.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -77.24 -50.17 13.5 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.5 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -94.56 6.39 48.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.65 -29.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.73 -46.23 54.78 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.005 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' HIS . 93.0 m-20 -71.85 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 111.344 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -39.46 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.474 ' O ' ' SD ' ' A' ' 22' ' ' MET . 26.8 tpp -74.49 -29.35 61.39 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.6 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -107.65 10.27 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.2 t-80 -48.68 135.33 13.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.538 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.74 -28.52 1.96 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.781 1.654 . . . . 0.0 112.527 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.96 -41.48 95.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 110.287 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.74 -34.78 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.009 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 39' ' ' VAL . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 86.4 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' H ' ' CD ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 64' ' ' ILE . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' OH ' HG22 ' A' ' 87' ' ' VAL . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PRO . . . . . 0.833 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 83' ' ' PRO . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.514 ' O ' HD13 ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.766 ' H ' HD12 ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CD ' ' HZ1' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.55 ' N ' HD12 ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.44 -43.67 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.07 86.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.011 0.434 . . . . 0.0 110.253 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.15 -46.56 86.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.94 99.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.35 91.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.05 -35.33 80.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.72 -41.73 23.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.236 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 149' ' ' VAL . 7.5 mt -70.12 -59.16 3.07 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.4 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 148' ' ' LEU . 0.9 OUTLIER 50.06 160.69 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.917 0.761 . . . . 0.0 110.94 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.73 98.5 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.492 1.461 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.186 179.698 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 25.5 t . . . . . 0 N--CA 1.454 -0.243 0 CA-C-O 120.65 0.262 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' VAL . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' ILE . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 51' ' ' SER . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.809 ' OH ' HG22 ' A' ' 87' ' ' VAL . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.811 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.406 ' O ' HG23 ' A' ' 90' ' ' THR . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 83' ' ' PRO . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' TYR . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.657 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 98' ' ' VAL . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 115' ' ' LEU . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.562 HH22 HD13 ' A' ' 69' ' ' LEU . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.455 -0.191 0 CA-C-O 121.017 0.437 . . . . 0.0 110.584 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' SER . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.597 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.597 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.566 ' O ' HG23 ' A' ' 90' ' ' THR . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 86' ' ' TYR . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 121' ' ' LEU . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.4 tp . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.894 -0.41 . . . . 0.0 109.894 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 29' ' ' LEU . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' VAL . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.4 ' OH ' HG22 ' A' ' 87' ' ' VAL . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 79' ' ' LYS . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' HH11 ' A' ' 76' ' ' ARG . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.456 -0.135 0 CA-C-O 120.965 0.412 . . . . 0.0 110.442 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.66 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 95' ' ' PRO . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 122' ' ' LEU . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 103' ' ' LEU . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 130' ' ' ILE . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 127' ' ' ILE . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.552 ' NH1' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 141' ' ' ILE . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 137' ' ' PHE . 95.6 mt . . . . . 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.462 0.141 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 37' ' ' LEU . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.62 ' C ' HD23 ' A' ' 58' ' ' LEU . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' ASP . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.524 ' OH ' HG22 ' A' ' 87' ' ' VAL . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG22 ' OH ' ' A' ' 73' ' ' TYR . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 94' ' ' ILE . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.557 ' CD1' HG23 ' A' ' 90' ' ' THR . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 141' ' ' ILE . 2.7 mp . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.514 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.8 OUTLIER . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.7 0.286 . . . . 0.0 110.938 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 27' ' ' VAL . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LEU . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 130' ' ' ILE . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 40' ' ' ILE . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 34' ' ' ALA . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.589 ' CE2' HD22 ' A' ' 97' ' ' LEU . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' PRO . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 89' ' ' LYS . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 70' ' ' TRP . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 118' ' ' LEU . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 42' ' ' VAL . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp . . . . . 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' SER . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.549 ' OD1' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.684 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 83' ' ' PRO . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.485 ' CE1' HD11 ' A' ' 113' ' ' LEU . 20.2 t-80 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' A' ' 109' ' ' HIS . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 115' ' ' LEU . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.46 0.037 0 CA-C-O 120.805 0.336 . . . . 0.0 110.609 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 40' ' ' ILE . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.501 ' N ' HG13 ' A' ' 39' ' ' VAL . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 37' ' ' LEU . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.593 HG21 HH21 ' A' ' 133' ' ' ARG . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' GLY . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 62' ' ' ASP . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . 0.602 ' H ' HD12 ' A' ' 91' ' ' LEU . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.46 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' ' 129' ' ' LEU . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.555 HD11 ' CG1' ' A' ' 42' ' ' VAL . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.593 HH21 HG21 ' A' ' 42' ' ' VAL . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.4 mp . . . . . 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.3 t . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 137' ' ' PHE . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 42' ' ' VAL . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 35' ' ' ALA . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 58' ' ' LEU . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 38' ' ' SER . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 47' ' ' THR . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.736 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.601 ' O ' HD23 ' A' ' 55' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.476 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.476 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' ILE . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 83' ' ' PRO . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.637 HG23 ' HG3' ' A' ' 89' ' ' LYS . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.652 ' O ' HD22 ' A' ' 129' ' ' LEU . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 95' ' ' PRO . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 36' ' ' LEU . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.455 -0.203 0 CA-C-O 120.83 0.348 . . . . 0.0 110.762 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 37' ' ' LEU . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 39' ' ' VAL . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.518 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 97' ' ' LEU . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.448 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' TRP . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.458 ' CE1' HD11 ' A' ' 113' ' ' LEU . 54.2 t-80 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.458 HD11 ' CE1' ' A' ' 109' ' ' HIS . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.804 0.335 . . . . 0.0 110.737 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 35' ' ' ALA . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 44' ' ' VAL . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' THR . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' ILE . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.502 ' N ' HG23 ' A' ' 47' ' ' THR . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 64' ' ' ILE . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.49 ' OH ' HG22 ' A' ' 87' ' ' VAL . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 ' OH ' ' A' ' 73' ' ' TYR . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.554 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . 0.554 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.516 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 131' ' ' ILE . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . 0.551 ' N ' HG23 ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 56.1 t . . . . . 0 N--CA 1.462 0.174 0 CA-C-O 120.849 0.357 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.499 ' N ' HG13 ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 37' ' ' LEU . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' SER . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' VAL . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.546 ' N ' HG23 ' A' ' 47' ' ' THR . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.624 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 65' ' ' LEU . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 61' ' ' VAL . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 62' ' ' ASP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 83' ' ' PRO . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.515 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp . . . . . 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.995 0.426 . . . . 0.0 110.516 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.477 HG21 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 47' ' ' THR . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 40' ' ' ILE . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.491 ' N ' HG23 ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 61' ' ' VAL . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 57' ' ' ARG . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' ASP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.53 ' OH ' HG22 ' A' ' 87' ' ' VAL . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.581 ' O ' HG23 ' A' ' 87' ' ' VAL . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.783 ' N ' HD12 ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 118' ' ' LEU . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 127' ' ' ILE . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.477 HH11 HG21 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.996 0.427 . . . . 0.0 110.537 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 ' C ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 130' ' ' ILE . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' PRO . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 88' ' ' LYS . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 122' ' ' LEU . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.515 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . 0.677 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.644 ' N ' HD22 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 103' ' ' LEU . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 95' ' ' PRO . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.406 ' CG2' HG11 ' A' ' 42' ' ' VAL . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 19.0 t . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.547 0.213 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 38' ' ' SER . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 47' ' ' THR . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 40' ' ' ILE . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASP . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.629 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 83' ' ' PRO . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.658 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.491 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' HE ' ' A' ' 133' ' ' ARG . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HE ' HD21 ' A' ' 129' ' ' LEU . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.2 p . . . . . 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' SER . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 66' ' ' VAL . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 62' ' ' ASP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' A' ' 87' ' ' VAL . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.624 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 73' ' ' TYR . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.554 ' CE1' HD11 ' A' ' 113' ' ' LEU . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 HG22 ' A' ' 119' ' ' VAL . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 109' ' ' HIS . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.481 HG22 HD23 ' A' ' 110' ' ' LEU . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 123' ' ' ARG . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.451 -0.38 0 CA-C-O 120.955 0.407 . . . . 0.0 110.125 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 137' ' ' PHE . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 41' ' ' VAL . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 40' ' ' ILE . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' THR . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 127' ' ' ILE . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.633 ' N ' HG23 ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.478 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.478 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' ' 90' ' ' THR . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 83' ' ' PRO . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 86' ' ' TYR . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB1' ' HE ' ' A' ' 133' ' ' ARG . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 113' ' ' LEU . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 109' ' ' HIS . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 46' ' ' TYR . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HE ' ' HB1' ' A' ' 96' ' ' ALA . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' CG1' ' N ' ' A' ' 28' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 43' ' ' VAL . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 38' ' ' SER . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 47' ' ' THR . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.562 ' N ' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 61' ' ' VAL . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' PRO . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . 0.412 ' HB1' ' NH2' ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' A' ' 118' ' ' LEU . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.434 HH22 ' HE3' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.434 ' HE3' HH22 ' A' ' 133' ' ' ARG . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 33.1 mm . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 ' O ' HG23 ' A' ' 31' ' ' VAL . 1.2 t . . . . . 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 27' ' ' VAL . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 37' ' ' LEU . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 39' ' ' VAL . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 33' ' ' TYR . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 36' ' ' LEU . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.498 ' N ' HG13 ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 130' ' ' ILE . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 40' ' ' ILE . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.425 ' SD ' HD21 ' A' ' 50' ' ' LEU . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' SD ' ' A' ' 48' ' ' MET . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' PRO . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 117' ' ' ARG . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' A' ' 42' ' ' VAL . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.521 -0.154 0 CA-C-O 120.886 0.374 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 39' ' ' VAL . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 64' ' ' ILE . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' TYR . . . . . 0.652 ' OH ' HG22 ' A' ' 87' ' ' VAL . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PRO . . . . . 0.833 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 83' ' ' PRO . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.514 ' O ' HD13 ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.766 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CD ' ' HZ1' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.568 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.45 ' O ' ' O ' ' A' ' 5' ' ' LEU . 79.5 ttt180 56.72 116.28 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.427 179.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.39 -149.39 16.85 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.757 -0.937 . . . . 0.0 110.757 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.587 ' H ' HD23 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -83.36 155.59 23.45 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.868 0.366 . . . . 0.0 110.075 -179.745 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.9 p -152.39 163.26 39.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.305 179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.7 t0 -133.3 132.64 41.6 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.237 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.73 95.73 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.191 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -150.95 -80.38 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -49.19 -37.54 24.11 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.42 -64.27 0.9 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.857 0.36 . . . . 0.0 110.939 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.0 t -61.42 -20.78 23.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.61 -179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -65.99 -61.07 2.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.443 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 3.5 m120 -63.92 -46.83 83.0 Favored 'General case' 0 CA--C 1.517 -0.319 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.721 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.501 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.5 mp -67.36 -25.87 34.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.334 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -72.46 -58.09 5.19 Favored Glycine 0 CA--C 1.523 0.555 0 C-N-CA 120.779 -0.724 . . . . 0.0 111.477 -179.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 8.5 p-10 -66.25 -19.03 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.856 0.36 . . . . 0.0 110.565 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 39.7 t -90.87 -46.12 14.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.292 0 CA-C-O 121.217 0.532 . . . . 0.0 110.45 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.511 ' C ' ' H ' ' A' ' 24' ' ' HIS . 16.8 ttt -60.17 -36.35 77.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.085 -179.234 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -74.4 28.52 0.08 Allowed 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.799 0.333 . . . . 0.0 110.461 -179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.511 ' H ' ' C ' ' A' ' 22' ' ' MET . 24.7 t-80 -42.64 139.1 2.07 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.584 -0.446 . . . . 0.0 110.294 -178.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.443 ' HD2' ' CG ' ' A' ' 24' ' ' HIS . 78.0 Cg_exo -39.49 -39.75 1.91 Allowed 'Trans proline' 0 C--N 1.309 -1.503 0 C-N-CA 121.895 1.73 . . . . 0.0 112.481 -179.425 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.1 mm? -65.47 -40.75 93.51 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.907 0.384 . . . . 0.0 110.52 179.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' N ' ' O ' ' A' ' 24' ' ' HIS . 25.5 t -62.61 -44.84 99.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.442 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -63.29 -45.85 89.47 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.704 -178.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 tp -62.39 -45.16 94.37 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.218 -179.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.64 -46.08 94.59 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 -179.518 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.3 t -66.07 -42.61 91.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.817 0.341 . . . . 0.0 110.459 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 11.5 t -59.27 -44.15 92.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.542 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.7 t80 -61.81 -49.42 76.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.575 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.28 86.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.339 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.55 -38.72 92.0 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.354 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.2 tt -59.53 -49.78 76.46 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.572 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 HD13 ' HA ' ' A' ' 37' ' ' LEU . 4.5 mm? -63.87 -40.19 95.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.051 0.453 . . . . 0.0 110.497 179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.6 t -58.1 -42.15 85.04 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.933 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' O ' HG23 ' A' ' 43' ' ' VAL . 74.0 t -63.22 -43.53 98.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 121.208 0.528 . . . . 0.0 110.868 -179.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 mp -68.33 -40.44 82.48 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.534 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 37' ' ' LEU . 24.4 t -56.99 -49.17 80.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.832 -177.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.3 m -66.05 -37.36 79.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.642 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.449 HG23 ' O ' ' A' ' 39' ' ' VAL . 42.8 t -64.06 -42.65 96.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.282 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 40' ' ' ILE . 56.0 t -59.1 -44.55 91.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.265 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.1 tm-20 -66.05 -42.8 89.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.393 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -64.77 -48.34 74.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 60.2 p -74.82 -62.95 1.36 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.912 -179.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -92.37 146.7 23.49 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.805 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.427 ' O ' ' O ' ' A' ' 50' ' ' LEU . 50.5 mt-30 -117.37 57.86 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.212 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.4 mt -42.21 165.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.48 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.407 ' O ' HD23 ' A' ' 55' ' ' LEU . 3.5 t -61.39 170.01 1.99 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.498 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.39 -34.43 80.66 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -57.69 -61.03 2.81 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.001 0.429 . . . . 0.0 111.018 -179.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -59.06 -33.27 70.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.398 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 51' ' ' SER . 2.1 mm? -61.21 -40.17 92.96 Favored 'General case' 0 C--N 1.316 -0.886 0 C-N-CA 120.684 -0.406 . . . . 0.0 110.43 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 54.0 t -62.13 -45.13 99.45 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 120.19 -0.604 . . . . 0.0 109.996 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -65.76 -38.37 88.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.1 tp -62.97 -43.24 99.35 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.803 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -62.63 -40.65 97.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.177 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.23 -48.61 77.52 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.483 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 69.7 t -60.32 -43.47 93.75 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.197 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -59.61 -38.73 82.07 Favored 'General case' 0 C--O 1.237 0.408 0 CA-C-O 121.234 0.54 . . . . 0.0 110.333 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 32.7 tp -59.76 -46.19 89.94 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.509 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.19 -45.17 84.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.507 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 78.5 mt -56.3 -38.22 70.97 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.513 -178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.464 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.8 t -63.98 -38.76 83.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.357 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 69.9 mt -57.1 -47.23 84.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.896 0.379 . . . . 0.0 110.44 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 68' ' ' ILE . 1.6 mp -59.71 -44.51 93.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 C-N-CA 120.42 -0.512 . . . . 0.0 109.962 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.562 HD13 HH22 ' A' ' 133' ' ' ARG . 86.0 mt -63.66 -39.27 93.91 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.095 -179.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.464 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.2 m0 -62.0 -26.49 68.26 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.05 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.403 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -55.26 -52.69 62.6 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.791 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -68.09 -48.45 65.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.088 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.809 ' OH ' HG22 ' A' ' 87' ' ' VAL . 50.6 t80 -61.15 -46.27 91.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.634 -179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.71 -36.14 80.07 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.557 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 76.5 t80 -59.38 -49.83 76.3 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.731 -179.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 42.7 mtt-85 -68.45 -35.64 77.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.274 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.27 -54.0 48.99 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.829 -179.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 49.4 m-85 -67.44 -38.02 83.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.547 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -56.24 -44.3 79.49 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.68 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 83.7 p -61.75 -24.38 66.78 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.492 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.79 4.52 85.49 Favored Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.839 -0.904 . . . . 0.0 110.839 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -147.32 77.74 10.54 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 120.899 0.38 . . . . 0.0 110.339 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.811 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.0 Cg_exo -51.9 -45.8 36.27 Favored 'Trans proline' 0 C--N 1.308 -1.596 0 C-N-CA 122.527 2.151 . . . . 0.0 112.388 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -55.93 -48.57 75.47 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.465 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.9 -41.98 86.92 Favored Glycine 0 CA--C 1.528 0.857 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.406 ' O ' HG23 ' A' ' 90' ' ' THR . 24.0 t80 -59.47 -36.06 75.27 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.811 HG23 ' O ' ' A' ' 83' ' ' PRO . 89.3 t -67.51 -47.89 78.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 C-N-CA 120.574 -0.451 . . . . 0.0 111.095 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.8 mttm -58.55 -19.93 42.08 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.324 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.6 ttpt -88.6 -30.86 18.92 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.296 179.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.406 HG23 ' O ' ' A' ' 86' ' ' TYR . 52.6 p -99.73 24.99 7.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.966 -178.429 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 74.9 mt -49.03 -34.72 13.91 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.978 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -74.53 -8.68 57.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.943 -179.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -100.24 -19.63 16.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.429 . . . . 0.0 110.644 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.657 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.4 mp -55.12 -54.25 52.5 Favored Pre-proline 0 C--N 1.319 -0.721 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.243 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 10.6 Cg_endo -50.83 -17.07 2.86 Favored 'Trans proline' 0 C--N 1.311 -1.427 0 C-N-CA 122.522 2.148 . . . . 0.0 112.27 -178.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.436 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -87.76 -23.96 23.94 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.029 -179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.451 ' O ' ' C ' ' A' ' 98' ' ' VAL . 24.0 mt -100.57 -20.94 15.46 Favored 'General case' 0 CA--C 1.513 -0.479 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.092 -179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.516 ' O ' HG12 ' A' ' 98' ' ' VAL . 14.8 t -32.01 94.96 0.07 OUTLIER Pre-proline 0 CA--C 1.535 0.384 0 O-C-N 123.673 0.608 . . . . 0.0 110.747 -179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.441 ' N ' ' O ' ' A' ' 97' ' ' LEU . 39.2 Cg_exo -60.46 138.64 81.82 Favored 'Trans proline' 0 C--N 1.307 -1.633 0 C-N-CA 122.292 1.995 . . . . 0.0 111.899 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.54 -39.41 91.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.526 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.36 -42.85 99.04 Favored Glycine 0 CA--C 1.521 0.457 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 40.6 tp -59.77 -49.34 78.12 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.747 -179.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -67.29 -37.22 83.04 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 179.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -53.73 -52.43 60.15 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.58 -42.83 99.8 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.832 0.348 . . . . 0.0 110.528 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 86.2 mt -64.13 -43.7 97.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.228 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -60.34 -41.25 93.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.162 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.71 -39.25 96.54 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 51.7 t-80 -62.09 -44.75 95.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.936 0.398 . . . . 0.0 110.311 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 96.5 mt -64.27 -42.82 96.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.587 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.87 -39.75 94.04 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.799 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -62.36 -36.28 92.87 Favored Glycine 0 CA--C 1.518 0.275 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -69.74 -22.18 63.39 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.831 0.348 . . . . 0.0 111.042 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 101.94 28.5 6.53 Favored Glycine 0 CA--C 1.523 0.551 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.411 HD23 ' HA ' ' A' ' 115' ' ' LEU . 81.2 mt -101.93 133.67 46.36 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-O 120.891 0.377 . . . . 0.0 110.351 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 41.3 m-85 -124.85 -18.66 5.49 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.406 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 82.6 mtp180 -63.64 -48.57 76.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.045 0.45 . . . . 0.0 110.592 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 64.7 mt -62.37 -38.26 88.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.259 179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 90.6 t -58.53 -42.68 85.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.181 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -59.31 -48.87 80.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.138 0.494 . . . . 0.0 110.405 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.8 mp -63.26 -37.36 86.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.512 . . . . 0.0 109.919 179.293 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.6 tt -61.68 -40.9 96.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.415 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -59.53 -46.37 89.06 Favored 'General case' 0 C--O 1.238 0.458 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -62.07 -34.93 77.19 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.843 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.0 tp -62.61 -37.0 84.57 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.111 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -59.3 -49.23 78.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.443 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.71 -43.28 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.99 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 76.7 mt -64.81 -36.97 86.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.244 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.11 -42.91 91.67 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.55 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.1 mt -63.63 -42.62 96.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.072 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 83.8 mt -59.9 -41.83 87.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.111 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.2 t -57.57 -49.39 76.54 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.487 -179.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.562 HH22 HD13 ' A' ' 69' ' ' LEU . 32.2 mtt-85 -66.81 -22.17 66.02 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.393 179.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -53.44 -31.91 44.3 Favored Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.423 -1.071 . . . . 0.0 110.423 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 84.2 p -60.69 -40.67 93.04 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-O 120.855 0.359 . . . . 0.0 110.31 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 58.1 mttm -62.64 -44.74 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 109.968 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.73 -47.71 82.38 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.609 179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 88.7 mt -59.98 -41.79 92.8 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.64 -179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 73.2 p -63.6 -41.81 98.29 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.169 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.68 -52.33 65.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.128 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.431 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp -62.49 -43.8 98.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.503 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.96 -53.11 57.41 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 120.42 -0.512 . . . . 0.0 110.838 -179.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 65.4 t0 -67.45 -42.24 83.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.748 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -60.22 -44.62 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.653 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.39 -45.57 88.08 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.658 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.42 ' O ' HG12 ' A' ' 149' ' ' VAL . 79.4 m-20 -62.4 -38.86 91.27 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.258 -179.727 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -43.14 50.8 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.118 179.784 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.541 ' O ' ' C ' ' A' ' 149' ' ' VAL . 57.6 mt -65.51 -62.84 1.29 Allowed 'General case' 0 CA--C 1.5 -0.966 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.859 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.629 ' O ' HG22 ' A' ' 149' ' ' VAL . 1.9 p 16.64 74.48 0.16 Allowed Pre-proline 0 CA--C 1.541 0.597 0 O-C-N 123.996 0.81 . . . . 0.0 110.93 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -74.51 -24.64 13.73 Favored 'Trans proline' 0 C--N 1.296 -2.229 0 C-N-CA 122.041 1.827 . . . . 0.0 112.373 -177.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 . . . . . 0 C--N 1.324 -0.5 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.622 -179.43 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.28 152.79 45.08 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.07 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.36 7.89 0.76 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.0 mt -65.68 132.46 48.85 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.261 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 m -102.24 52.58 0.81 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.394 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.0 m-20 -69.01 144.03 54.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.047 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -105.85 67.03 0.74 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.405 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.83 -72.47 0.05 OUTLIER Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.41 -45.0 97.01 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -62.7 -39.86 95.31 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.814 -0.354 . . . . 0.0 110.082 179.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.529 ' O ' ' NZ ' ' A' ' 79' ' ' LYS . 47.7 t -59.23 -44.53 92.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 C-N-CA 120.053 -0.659 . . . . 0.0 109.995 -178.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.6 tpt180 -62.93 -42.15 99.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.358 179.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 41.0 m-80 -62.72 -40.79 98.29 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.51 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' MET . 23.4 mm -61.23 -43.31 96.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 C-N-CA 120.636 -0.426 . . . . 0.0 110.181 179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -56.75 -47.39 85.86 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.397 -0.906 . . . . 0.0 111.094 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 84.1 m-20 -75.48 -38.33 59.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.004 0.431 . . . . 0.0 110.549 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.607 ' O ' HG12 ' A' ' 21' ' ' VAL . 89.7 t -79.82 -2.6 5.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.54 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.449 ' N ' ' O ' ' A' ' 18' ' ' ILE . 6.6 tpt -57.32 -2.79 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.759 -179.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 21' ' ' VAL . 12.7 pt-20 -116.5 26.67 9.71 Favored 'General case' 0 CA--C 1.52 -0.183 0 CA-C-O 121.064 0.459 . . . . 0.0 109.881 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -46.64 133.67 8.08 Favored Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.233 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -40.3 -37.09 1.81 Allowed 'Trans proline' 0 C--N 1.311 -1.425 0 C-N-CA 121.851 1.701 . . . . 0.0 112.698 -179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 8.9 mt -66.01 -44.04 85.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.952 0.406 . . . . 0.0 111.128 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -72.32 -35.5 52.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.584 -179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -62.25 -45.59 92.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.571 -178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -65.41 -41.43 93.6 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.665 179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.55 -48.64 75.12 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 56.3 t -62.92 -45.93 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.271 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 50.4 m -60.54 -40.6 92.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.463 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 26.4 t80 -60.76 -46.61 89.78 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.16 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.9 -40.09 87.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.646 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.24 -40.83 98.56 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.779 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mt -62.71 -43.75 98.01 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.476 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.65 -40.99 96.88 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.692 -179.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.514 ' O ' HG23 ' A' ' 42' ' ' VAL . 57.7 m -58.58 -43.6 89.49 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.689 -0.405 . . . . 0.0 110.854 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 61.5 t -61.36 -47.17 94.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.729 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.1 mm -63.29 -43.76 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.024 -179.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.74 -43.79 95.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.463 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 38' ' ' SER . 53.3 t -57.49 -43.61 83.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.283 -179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.597 ' O ' ' OG1' ' A' ' 47' ' ' THR . 89.4 t -64.43 -61.32 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 C-N-CA 119.921 -0.712 . . . . 0.0 111.541 -178.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -47.05 -26.79 0.82 Allowed 'Isoleucine or valine' 0 CA--C 1.517 -0.3 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.516 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -46.68 -54.98 8.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.494 -178.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 47' ' ' THR . 16.1 p90 -98.39 -31.81 11.82 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.708 0.29 . . . . 0.0 111.287 -179.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.597 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.08 -21.45 59.21 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 -179.37 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 35.6 mtt -139.96 146.24 38.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.873 0.368 . . . . 0.0 110.402 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -112.89 56.08 0.68 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.548 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.4 mt -45.68 165.48 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.311 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 p -69.19 163.99 23.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.485 -178.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.57 -45.7 59.39 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.447 -0.661 . . . . 0.0 111.447 -179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 74.7 tt0 -55.42 -58.14 8.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.218 0.532 . . . . 0.0 110.793 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.5 m-85 -66.22 -31.68 72.65 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.537 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.52 -46.58 89.63 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.591 -0.444 . . . . 0.0 110.298 -179.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.2 t -61.67 -43.55 97.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.14 -38.53 83.39 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.165 -179.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 29.6 tp -60.8 -47.56 85.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.522 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 29.4 m-85 -67.66 -35.01 78.07 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.087 0.47 . . . . 0.0 110.202 179.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.4 -42.57 99.53 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.33 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.9 t -62.64 -47.04 94.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.0 179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 46.1 t0 -50.78 -41.18 56.72 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.11 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.23 -41.53 97.04 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 93.7 mt -62.66 -42.59 96.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.994 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -61.56 -39.76 92.26 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.539 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.475 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 81.9 t -62.55 -41.25 91.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.256 179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.8 mt -61.14 -42.89 95.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.782 0.325 . . . . 0.0 110.665 -179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.81 -44.41 93.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.208 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 71.7 mt -65.03 -40.3 94.61 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.017 0.436 . . . . 0.0 110.332 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.3 m0 -55.29 -33.9 63.64 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.26 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.85 -55.21 18.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.227 -179.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 46.5 t0 -66.76 -40.05 88.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.049 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 80.8 t80 -60.62 -47.29 86.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.502 -179.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.83 -46.29 85.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.976 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -59.47 -47.48 85.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.31 0.576 . . . . 0.0 110.468 -179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.7 tpt180 -64.15 -38.4 90.93 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.582 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.59 -45.52 77.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.551 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 47.0 m-85 -63.23 -38.59 91.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.364 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.529 ' NZ ' ' O ' ' A' ' 15' ' ' VAL . 18.3 tptt -59.28 -34.81 72.73 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.621 -179.454 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.1 p -60.58 -26.13 66.73 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.564 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 77.44 6.05 86.26 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.15 -0.78 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -152.19 83.8 4.99 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.669 0.271 . . . . 0.0 110.27 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_exo -53.48 -44.8 45.97 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.583 2.189 . . . . 0.0 112.618 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -49.43 76.05 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.14 -36.94 86.47 Favored Glycine 0 CA--C 1.522 0.53 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.566 ' O ' HG23 ' A' ' 90' ' ' THR . 81.8 t80 -58.73 -44.97 90.58 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 120.844 0.354 . . . . 0.0 110.087 -179.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 85.0 t -67.76 -45.53 84.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 C-N-CA 120.343 -0.543 . . . . 0.0 111.277 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -58.35 -20.79 46.57 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.934 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 8.0 ttpp -93.37 -30.21 15.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.959 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.566 HG23 ' O ' ' A' ' 86' ' ' TYR . 66.3 p -95.9 31.57 2.08 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-O 121.267 0.556 . . . . 0.0 110.579 -178.387 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 72.3 mt -65.55 -20.7 66.44 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.17 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 36.5 p90 -85.79 -6.61 59.08 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -103.63 -29.33 11.16 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.789 0.328 . . . . 0.0 110.694 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.5 mp -53.24 -48.7 91.41 Favored Pre-proline 0 CA--C 1.537 0.45 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 179.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 68.8 Cg_exo -47.86 -35.41 24.32 Favored 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 121.91 1.74 . . . . 0.0 111.98 -179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.56 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -73.03 -40.65 64.96 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.179 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 64.4 mt -73.25 -16.74 61.39 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.486 -179.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 18.9 t -41.32 110.55 0.75 Allowed Pre-proline 0 CA--C 1.542 0.657 0 C-N-CA 120.631 -0.428 . . . . 0.0 110.886 -179.254 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -77.33 113.32 3.54 Favored 'Trans proline' 0 C--N 1.315 -1.193 0 C-N-CA 121.964 1.776 . . . . 0.0 111.443 179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -50.72 -18.29 0.69 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.225 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.58 -48.02 62.08 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.422 ' N ' ' CD2' ' A' ' 102' ' ' LEU . 3.9 mm? -62.21 -44.13 97.28 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.977 0.418 . . . . 0.0 110.806 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.9 mt -66.04 -38.82 89.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.646 179.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.08 -49.04 78.28 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.07 -179.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.4 mp -63.95 -42.19 97.38 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.64 -0.424 . . . . 0.0 111.0 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -63.72 -44.19 98.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.995 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.537 ' OE1' ' NH2' ' A' ' 126' ' ' ARG . 2.5 pt-20 -66.35 -33.31 75.44 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.087 0.47 . . . . 0.0 110.147 -179.634 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.53 -45.31 96.62 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 26.9 t-80 -66.26 -40.78 90.39 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.113 -0.328 . . . . 0.0 110.113 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 85.0 mt -62.64 -42.26 99.5 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.825 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -60.55 -47.81 84.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.455 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.18 -26.42 69.25 Favored Glycine 0 CA--C 1.519 0.311 0 N-CA-C 110.761 -0.936 . . . . 0.0 110.761 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.8 -21.89 63.36 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.459 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 97.08 22.76 16.5 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.617 -0.993 . . . . 0.0 110.617 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 80.7 mt -111.4 141.94 44.3 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.996 0.426 . . . . 0.0 110.152 179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -128.11 -16.44 4.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.574 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.5 ttp180 -61.65 -49.38 76.76 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.491 -0.483 . . . . 0.0 110.451 -178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.7 mp -63.84 -39.7 94.84 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.071 0.462 . . . . 0.0 110.044 179.51 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 39.9 t -61.96 -39.51 83.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.862 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 59.4 ttt85 -58.96 -49.4 78.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.409 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.421 HD12 ' N ' ' A' ' 121' ' ' LEU . 11.1 mp -66.61 -39.76 88.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.092 0.472 . . . . 0.0 110.13 178.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.674 ' O ' HD23 ' A' ' 122' ' ' LEU . 5.4 tt -60.66 -43.66 97.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.752 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -60.81 -41.38 95.58 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.51 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -29.92 71.1 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.263 0.554 . . . . 0.0 109.935 179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.5 tp -72.18 -38.09 69.17 Favored 'General case' 0 C--N 1.314 -0.978 0 C-N-CA 120.045 -0.662 . . . . 0.0 110.22 179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.537 ' NH2' ' OE1' ' A' ' 107' ' ' GLU . 9.9 ttm180 -64.78 -45.78 84.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.907 -178.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 17.7 tt -68.0 -39.72 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.8 tp -62.49 -32.1 72.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.818 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.5 tp -56.55 -26.67 55.67 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.521 -179.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.421 ' O ' ' N ' ' A' ' 134' ' ' GLY . 89.4 mt -55.3 -35.02 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.127 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.55 ' N ' HD12 ' A' ' 131' ' ' ILE . 1.5 mp -60.61 -47.79 91.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.007 0.432 . . . . 0.0 110.184 -179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 48.6 m -55.75 -52.94 62.2 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.338 -0.545 . . . . 0.0 109.72 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.56 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 11.3 mmt180 -68.36 -22.17 64.68 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.319 179.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -59.55 -35.37 85.36 Favored Glycine 0 N--CA 1.45 -0.425 0 N-CA-C 110.681 -0.968 . . . . 0.0 110.681 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 16.0 t -58.01 -49.41 76.94 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.757 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.4 mtmm -70.72 -36.53 73.24 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.405 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -55.23 -52.1 64.47 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.303 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.5 mp -64.39 -42.0 96.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.931 0.396 . . . . 0.0 110.326 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 18.9 p -62.17 -45.37 93.71 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.181 -0.607 . . . . 0.0 110.715 -179.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.17 -45.88 68.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.357 -179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.418 ' O ' ' HB2' ' A' ' 145' ' ' ALA . 1.4 tp -67.26 -31.37 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 -179.13 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.79 -50.71 72.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.235 -178.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -68.56 -47.74 66.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.893 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.44 -37.86 88.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.854 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.418 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -50.32 -32.61 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.195 -179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.4 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 51.5 t0 -71.18 -40.18 71.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.995 0.426 . . . . 0.0 110.654 179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -76.36 -40.08 52.13 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.607 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 148' ' ' LEU . 10.9 mp -80.23 -59.47 2.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.747 -179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 6.0 t 58.46 70.49 1.2 Allowed Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.326 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -53.4 -41.15 75.18 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.755 2.303 . . . . 0.0 112.138 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.631 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.2 mt . . . . . 0 N--CA 1.491 1.599 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 75.2 mtm180 -73.02 -24.03 60.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.5 -60.84 0.18 Allowed Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.3 mt 58.79 68.43 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.825 0.345 . . . . 0.0 110.497 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.2 t -74.19 48.17 0.31 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.738 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 43.0 p-10 -147.34 131.99 17.85 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.01 -43.88 97.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.563 -179.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 109.35 129.65 5.86 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.841 -0.903 . . . . 0.0 110.841 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.21 -30.89 75.09 Favored Glycine 0 CA--C 1.522 0.481 0 N-CA-C 110.511 -1.035 . . . . 0.0 110.511 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.461 ' NH2' ' ND2' ' A' ' 17' ' ' ASN . 5.8 mmp_? -62.29 -41.81 98.82 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.934 0.397 . . . . 0.0 110.423 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.4 t -64.92 -43.56 96.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.362 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.3 ttt85 -59.07 -42.6 90.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.777 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.461 ' ND2' ' NH2' ' A' ' 14' ' ' ARG . 75.7 m-20 -63.01 -40.06 96.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.234 179.625 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' A' ' 22' ' ' MET . 1.2 mp -61.92 -42.54 95.1 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.309 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.17 -49.54 71.39 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.16 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -71.09 -41.24 70.87 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.961 0.41 . . . . 0.0 110.854 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.8 t -71.69 -35.6 56.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.899 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.511 ' N ' ' O ' ' A' ' 18' ' ' ILE . 13.1 tpt -75.83 -28.12 58.13 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 -179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.43 ' OE2' ' CZ ' ' A' ' 76' ' ' ARG . 99.4 mt-10 -98.9 16.86 21.04 Favored 'General case' 0 N--CA 1.463 0.2 0 O-C-N 123.442 0.463 . . . . 0.0 110.436 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . 0.5 OUTLIER -59.36 139.43 88.61 Favored Pre-proline 0 CA--C 1.542 0.637 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.633 -178.711 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_exo -42.88 -34.06 3.48 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.749 1.633 . . . . 0.0 112.677 179.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 44.3 mt -62.46 -38.85 91.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.93 0.395 . . . . 0.0 110.414 -179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -63.06 -38.62 82.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.894 179.902 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -59.3 -49.04 79.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.01 -178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.403 HD12 ' N ' ' A' ' 29' ' ' LEU . 11.1 mp -63.41 -42.8 98.75 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.397 179.593 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.88 -48.81 67.5 Favored Glycine 0 CA--C 1.526 0.781 0 N-CA-C 111.216 -0.754 . . . . 0.0 111.216 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 42.2 t -64.38 -44.37 97.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.782 0.325 . . . . 0.0 110.422 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.1 p -60.38 -38.27 83.4 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.53 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 58.2 t80 -61.17 -44.62 97.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.107 0.48 . . . . 0.0 109.97 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.09 92.7 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.4 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.72 -35.61 81.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.485 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.4 tp -60.93 -46.05 92.25 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.002 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.0 mt -63.92 -40.52 96.67 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.736 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 16.9 m -54.95 -42.98 72.99 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.542 -179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.28 -42.86 91.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.118 0.485 . . . . 0.0 110.63 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.602 ' O ' HG23 ' A' ' 44' ' ' VAL . 32.9 mm -65.58 -42.17 92.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.266 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 40.6 t -57.99 -49.59 80.79 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.253 0 CA-C-N 116.61 -0.268 . . . . 0.0 111.131 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 32.0 m -64.05 -37.84 80.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.164 -0.614 . . . . 0.0 109.649 -179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.1 t -65.49 -44.93 94.02 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.352 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.602 HG23 ' O ' ' A' ' 40' ' ' ILE . 76.4 t -57.11 -49.82 78.42 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.489 0 C-N-CA 120.178 -0.609 . . . . 0.0 110.604 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.528 ' O ' ' N ' ' A' ' 49' ' ' GLN . 84.5 tt0 -65.14 -49.31 70.38 Favored 'General case' 0 C--N 1.319 -0.751 0 C-N-CA 119.782 -0.767 . . . . 0.0 111.455 -179.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 44.1 t80 -59.16 -20.83 57.23 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.1 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 32.4 p -105.52 -49.79 3.35 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 120.676 0.274 . . . . 0.0 111.051 -179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 49' ' ' GLN . 7.6 mmt -85.99 -28.9 23.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.728 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.528 ' N ' ' O ' ' A' ' 45' ' ' GLU . 2.8 pt20 32.79 52.89 0.33 Allowed 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 121.208 0.528 . . . . 0.0 110.968 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' A' ' 49' ' ' GLN . 1.2 mt -46.24 176.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.641 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 21.7 p -72.17 172.89 9.36 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.752 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.71 -39.61 86.99 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.394 -179.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 44.1 tp10 -49.06 -65.74 0.52 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.707 0.289 . . . . 0.0 111.076 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -62.32 -30.03 70.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.683 -179.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.64 -37.34 78.43 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.407 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 55.4 t -60.61 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 C-N-CA 120.654 -0.419 . . . . 0.0 110.213 -179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -66.78 -38.23 86.14 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.828 178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.469 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 4.3 tt -61.55 -43.0 99.65 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.001 -0.545 . . . . 0.0 109.83 -179.273 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -62.94 -41.06 99.38 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 120.622 -0.431 . . . . 0.0 110.665 179.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 49.2 tp -63.02 -43.93 97.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.023 0.439 . . . . 0.0 110.161 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -61.36 -44.57 98.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.528 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 1.4 m-20 -61.71 -39.76 92.64 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.78 -179.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.1 mp -59.34 -41.7 89.78 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.4 mt -62.49 -42.97 97.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.756 -0.377 . . . . 0.0 110.155 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.32 -40.49 96.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.74 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.495 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 87.3 t -60.88 -41.0 87.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.57 -42.88 93.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.081 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 88.9 mt -61.67 -44.89 99.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.461 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.7 mt -65.28 -39.3 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.044 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.495 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 14.8 m0 -59.9 -32.33 70.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.236 179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.23 -53.83 48.28 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.808 -179.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -73.04 -45.88 55.09 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.863 -0.335 . . . . 0.0 111.281 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.4 ' OH ' HG22 ' A' ' 87' ' ' VAL . 82.9 t80 -61.66 -46.88 87.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.23 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.22 -52.89 60.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.889 -178.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -46.74 89.51 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 -179.09 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.43 ' CZ ' ' OE2' ' A' ' 23' ' ' GLU . 15.5 tpt180 -60.17 -43.49 95.8 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.885 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.59 -56.49 18.44 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.502 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 46.4 m-85 -62.94 -32.1 73.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.631 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.418 ' HD3' HH11 ' A' ' 76' ' ' ARG . 31.6 tttp -56.42 -36.27 68.76 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.181 -179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 95.2 p -65.58 -18.24 65.17 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.705 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 7.5 88.43 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -151.59 80.12 6.36 Favored Pre-proline 0 C--N 1.326 -0.422 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.493 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -57.73 -38.51 92.79 Favored 'Trans proline' 0 N--CA 1.497 1.729 0 C-N-CA 121.515 1.477 . . . . 0.0 112.575 -178.692 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.45 -47.74 77.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.8 0.333 . . . . 0.0 110.761 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.55 -38.03 90.14 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.664 -0.975 . . . . 0.0 110.664 179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -61.65 -43.29 99.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.695 0.284 . . . . 0.0 110.541 -179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.1 t -62.27 -47.31 93.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.675 -0.41 . . . . 0.0 110.782 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -46.5 -21.22 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.916 0.389 . . . . 0.0 110.727 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.414 ' N ' ' C ' ' A' ' 87' ' ' VAL . 29.9 ttpt -92.77 -27.09 17.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.01 -179.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 87' ' ' VAL . 8.4 p -115.78 36.18 4.12 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 120.974 0.416 . . . . 0.0 110.998 -178.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.9 mt -61.11 -44.37 97.44 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.112 -179.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 44.3 p90 -69.24 -5.85 25.48 Favored 'General case' 0 C--N 1.331 -0.22 0 O-C-N 123.271 0.357 . . . . 0.0 110.53 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -88.31 -36.84 16.43 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.317 179.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.432 ' O ' ' N ' ' A' ' 97' ' ' LEU . 1.3 mp -51.55 -51.35 70.37 Favored Pre-proline 0 CA--C 1.546 0.805 0 CA-C-N 116.576 -0.284 . . . . 0.0 110.744 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.429 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.0 Cg_exo -41.33 -35.2 2.1 Favored 'Trans proline' 0 N--CA 1.491 1.347 0 C-N-CA 122.297 1.998 . . . . 0.0 112.454 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.522 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -81.38 -26.56 35.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.46 -179.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 94' ' ' ILE . 53.3 mt -87.85 -2.64 58.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 50.1 t -58.19 121.01 48.32 Favored Pre-proline 0 CA--C 1.541 0.62 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.657 -179.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -75.19 137.57 21.47 Favored 'Trans proline' 0 N--CA 1.494 1.5 0 C-N-CA 121.769 1.646 . . . . 0.0 112.643 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -69.16 -30.88 69.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.744 179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.34 -52.87 50.14 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 120.814 -0.707 . . . . 0.0 111.443 -178.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.93 -43.91 91.21 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.156 -179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.09 -40.09 96.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.822 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.64 -45.34 77.64 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.339 -0.544 . . . . 0.0 109.856 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.73 -42.98 97.81 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -65.55 -42.85 93.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.532 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -57.69 -42.96 84.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.928 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.99 -37.96 94.88 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -57.36 -49.79 75.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 0.0 110.878 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 52.5 mt -67.02 -43.73 82.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.961 0.41 . . . . 0.0 110.716 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.63 -25.6 67.46 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.13 -38.89 96.33 Favored Glycine 0 CA--C 1.528 0.848 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.554 ' N ' HD12 ' A' ' 113' ' ' LEU . 10.2 mp -75.26 -21.08 58.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.788 0.328 . . . . 0.0 110.365 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.65 16.05 47.3 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.2 mt -83.0 75.62 9.87 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -59.49 -18.7 42.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.611 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 60.1 ttp180 -59.42 -43.68 93.02 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.577 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -62.23 -36.59 82.45 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 53.5 t -61.04 -42.91 94.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.314 -0.403 . . . . 0.0 109.958 -179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 69.7 mtp85 -60.55 -43.0 97.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.792 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.49 -41.31 98.72 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.439 -0.504 . . . . 0.0 109.87 179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.9 tt -60.28 -41.37 93.17 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.977 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 64.8 ttt-85 -60.25 -36.83 78.65 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.306 -0.557 . . . . 0.0 110.12 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.45 -43.35 99.02 Favored 'General case' 0 C--O 1.238 0.483 0 CA-C-O 121.065 0.459 . . . . 0.0 110.612 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.4 mp -59.76 -36.95 77.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.652 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 16.3 tpt180 -54.09 -41.75 68.58 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 5.9 mm -61.84 -49.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.922 0.391 . . . . 0.0 110.545 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 5.5 mp -66.56 -30.16 70.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.269 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.1 tt -60.64 -45.25 94.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.631 -179.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.7 mt -64.03 -40.97 90.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.432 178.377 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 33.8 mm -56.93 -44.54 82.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 C-N-CA 120.359 -0.537 . . . . 0.0 109.973 -179.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 58.6 m -62.93 -46.89 85.65 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.688 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.522 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 94.2 mtt180 -65.75 -21.55 66.52 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.741 179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.96 -33.69 57.19 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 -179.553 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 71.5 m -60.05 -41.04 91.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.085 0.469 . . . . 0.0 110.383 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -64.88 -41.63 95.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.213 179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -60.1 -47.89 83.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.43 -179.505 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 97.8 mt -61.86 -41.56 97.98 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.227 -179.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.1 p -61.87 -41.67 98.14 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.423 -0.511 . . . . 0.0 110.49 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.57 -46.12 89.79 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.003 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.19 -44.16 99.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.66 -45.76 63.51 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.352 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.88 -47.91 34.72 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.747 0.308 . . . . 0.0 111.152 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -62.53 -29.33 70.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.803 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -48.67 -37.17 17.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.353 -179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -64.7 -38.56 91.4 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.624 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 28.4 mtmm -90.25 -20.58 22.81 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.113 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 149' ' ' VAL . 0.3 OUTLIER -77.08 -61.93 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.799 -179.586 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 148' ' ' LEU . 4.2 t 26.88 73.13 0.38 Allowed Pre-proline 0 N--CA 1.468 0.46 0 O-C-N 123.83 0.707 . . . . 0.0 110.887 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -78.1 115.75 3.81 Favored 'Trans proline' 0 C--N 1.307 -1.652 0 C-N-CA 122.322 2.014 . . . . 0.0 112.239 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 95.6 mtt-85 . . . . . 0 C--O 1.219 -0.529 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.447 179.463 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.5 ' O ' ' N ' ' A' ' 7' ' ' GLY . 4.4 mm? . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 56.6 ttm-85 63.68 -65.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.349 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . 66.08 126.42 0.02 OUTLIER Glycine 0 CA--C 1.523 0.566 0 N-CA-C 110.673 -0.971 . . . . 0.0 110.673 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 76.2 mt -76.13 146.53 39.18 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.926 0.393 . . . . 0.0 110.325 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.4 t -150.85 173.22 14.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.548 ' C ' ' H ' ' A' ' 12' ' ' GLY . 38.6 t0 -69.01 -142.07 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.026 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.502 ' H ' ' CG ' ' A' ' 10' ' ' ASP . 7.0 tp 68.34 -36.5 0.32 Allowed 'General case' 0 C--N 1.332 -0.166 0 O-C-N 123.332 0.395 . . . . 0.0 110.706 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.548 ' H ' ' C ' ' A' ' 10' ' ' ASP . . . -59.92 -25.32 61.56 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.771 -0.932 . . . . 0.0 110.771 -179.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -56.76 -41.64 90.78 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 57.2 mtp180 -62.62 -41.95 99.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.792 0.33 . . . . 0.0 110.696 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 9.6 t -64.91 -43.09 96.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.067 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 94.8 mtm-85 -63.58 -39.51 94.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.195 -179.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.418 ' O ' HG23 ' A' ' 21' ' ' VAL . 15.2 m120 -61.96 -48.32 80.9 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.662 -179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' O ' ' N ' ' A' ' 22' ' ' MET . 19.2 mm -67.39 -42.24 87.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.669 0.271 . . . . 0.0 110.749 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.0 -40.58 97.18 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.682 -0.77 . . . . 0.0 111.224 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.428 ' OD1' ' OE2' ' A' ' 23' ' ' GLU . 38.0 t0 -85.24 -18.58 33.57 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.845 0.323 . . . . 0.0 110.988 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 21' ' ' VAL . 54.4 t -97.25 -12.1 8.45 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-O 120.8 0.334 . . . . 0.0 110.519 179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.437 ' O ' ' CG ' ' A' ' 22' ' ' MET . 15.2 ttt -100.77 6.11 43.78 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.291 -179.44 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.428 ' OE2' ' OD1' ' A' ' 20' ' ' ASP . 22.4 pt-20 -88.49 27.88 1.2 Allowed 'General case' 0 C--N 1.327 -0.4 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -45.52 140.09 4.39 Favored Pre-proline 0 CA--C 1.543 0.695 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.444 -178.088 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -47.94 -29.29 11.56 Favored 'Trans proline' 0 N--CA 1.496 1.636 0 C-N-CA 121.727 1.618 . . . . 0.0 112.466 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.8 mt -64.56 -43.56 93.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.82 0.343 . . . . 0.0 110.73 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.74 -34.66 61.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.442 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -64.25 -44.47 91.69 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.466 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.538 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER -65.31 -43.4 91.15 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.671 -179.352 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.56 -49.82 74.43 Favored Glycine 0 CA--C 1.523 0.567 0 N-CA-C 111.293 -0.723 . . . . 0.0 111.293 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.6 -43.61 98.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 80.7 p -60.16 -41.77 93.51 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.411 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -55.05 -48.29 73.66 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 121.104 0.478 . . . . 0.0 110.192 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.07 -33.92 76.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.939 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.24 -37.4 87.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.915 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.9 mp -60.76 -44.28 96.94 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 121.172 0.511 . . . . 0.0 110.065 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.536 ' N ' HD22 ' A' ' 37' ' ' LEU . 3.8 mm? -70.97 -34.26 71.25 Favored 'General case' 0 C--N 1.318 -0.801 0 C-N-CA 120.124 -0.631 . . . . 0.0 110.472 179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 26.3 t -64.6 -51.92 60.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.889 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -62.25 -35.62 70.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.854 -0.338 . . . . 0.0 110.346 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.07 -42.88 98.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.151 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.5 t -63.21 -42.33 96.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.032 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.1 t -57.28 -45.07 84.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.634 -0.427 . . . . 0.0 110.423 -178.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.458 ' O ' ' OG1' ' A' ' 47' ' ' THR . 92.7 t -61.81 -44.86 99.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 110.037 -0.357 . . . . 0.0 110.037 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 5.7 t -57.41 -30.68 36.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.586 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -46.59 -55.66 7.27 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.562 -0.455 . . . . 0.0 111.486 -178.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -101.5 -35.61 9.1 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.007 0.432 . . . . 0.0 110.489 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 3.7 m -64.88 -6.1 7.54 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.97 -178.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -141.23 127.25 19.44 Favored 'General case' 0 C--N 1.332 -0.191 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 6.0 mp0 -87.6 68.35 9.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.508 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.9 mt -65.85 177.05 1.39 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.131 179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 37.4 m -109.63 169.39 8.74 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.712 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.29 42.28 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 -179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.3 -58.43 8.55 Favored 'General case' 0 C--O 1.239 0.531 0 CA-C-O 121.077 0.465 . . . . 0.0 110.387 179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -61.17 -28.6 69.24 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.105 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.5 tp -61.45 -41.01 96.56 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.165 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 72.8 t -65.0 -43.98 96.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 121.009 0.433 . . . . 0.0 110.187 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 48.7 mtp85 -63.61 -39.62 94.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.91 179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.5 tp -62.62 -42.41 99.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.17 -179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -65.21 -35.98 82.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.49 -45.81 88.99 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.851 -179.15 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.98 -43.96 99.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.419 179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -59.48 -40.51 87.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.541 -179.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.1 tp -61.75 -37.96 86.2 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.602 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 5.6 mm -61.85 -44.58 99.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.446 -178.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 49.6 mt -61.46 -37.25 82.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.628 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' O ' ' CD1' ' A' ' 70' ' ' TRP . 95.0 t -62.31 -40.07 86.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.45 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 96.2 mt -60.36 -44.23 95.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.797 -0.361 . . . . 0.0 110.552 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.9 mp -62.63 -45.02 99.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.888 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.5 mt -63.41 -36.57 84.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.898 0.38 . . . . 0.0 110.311 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 12.9 m0 -62.36 -33.04 73.94 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.552 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.89 -53.82 23.51 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.442 -0.503 . . . . 0.0 111.069 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -70.56 -47.43 60.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.773 0.321 . . . . 0.0 111.668 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -61.42 -44.64 96.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.787 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.79 -41.6 99.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 -179.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -58.46 -44.97 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.144 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 22.0 mmt85 -64.6 -38.67 91.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.575 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.13 -51.08 70.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.85 -179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -68.15 -35.55 78.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.717 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 19.4 tptp -61.07 -40.57 94.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.595 -178.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 29.6 t -65.39 -24.55 67.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.43 5.09 89.32 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -147.98 77.59 10.04 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 87' ' ' VAL . 49.2 Cg_exo -53.95 -46.2 35.36 Favored 'Trans proline' 0 C--N 1.306 -1.686 0 C-N-CA 122.579 2.186 . . . . 0.0 112.58 -179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.19 -49.69 76.87 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.628 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.57 -41.08 77.22 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.876 -0.889 . . . . 0.0 110.876 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 79.4 t80 -58.38 -42.89 88.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.927 0.394 . . . . 0.0 110.015 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 83' ' ' PRO . 73.7 t -64.71 -44.69 96.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 C-N-CA 120.3 -0.56 . . . . 0.0 110.805 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -58.1 -20.62 41.39 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.772 -0.455 . . . . 0.0 109.772 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -88.29 -28.5 21.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.767 179.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 44.9 p -104.24 38.66 1.81 Allowed 'General case' 0 N--CA 1.466 0.343 0 CA-C-O 121.135 0.493 . . . . 0.0 110.71 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 66.6 mt -64.73 -21.51 66.77 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.404 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -81.01 -14.7 57.68 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.839 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 85.6 tt0 -104.76 -26.45 12.26 Favored 'General case' 0 N--CA 1.468 0.436 0 CA-C-O 120.642 0.258 . . . . 0.0 110.642 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.66 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 7.1 mm -51.12 -50.88 72.83 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.983 178.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 5.1 Cg_endo -45.05 -38.91 14.29 Favored 'Trans proline' 0 C--N 1.314 -1.269 0 C-N-CA 121.961 1.774 . . . . 0.0 111.859 -179.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.552 ' O ' ' NH1' ' A' ' 133' ' ' ARG . . . -71.76 -13.95 61.86 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.469 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 58.8 mt -103.88 -7.4 20.49 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.28 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.551 HG23 ' HA ' ' A' ' 95' ' ' PRO . 6.5 t -39.01 106.8 0.4 Allowed Pre-proline 0 CA--C 1.542 0.658 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.877 -179.138 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -75.64 122.88 7.16 Favored 'Trans proline' 0 N--CA 1.492 1.422 0 C-N-CA 121.976 1.784 . . . . 0.0 111.803 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -66.43 -36.94 84.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.179 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -53.5 -55.31 25.55 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 120.927 -0.654 . . . . 0.0 111.691 -179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -63.19 -43.28 98.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.863 0.363 . . . . 0.0 110.479 -179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.462 HD12 HD11 ' A' ' 122' ' ' LEU . 3.8 mm? -63.11 -40.17 96.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.497 179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.62 -47.71 73.1 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.646 -0.421 . . . . 0.0 110.429 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 82.6 mt -63.61 -42.21 98.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.909 0.385 . . . . 0.0 110.952 -179.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 84.4 mt -63.57 -43.14 98.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.372 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -55.68 -42.11 74.67 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.188 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.84 -38.25 95.86 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -58.97 -44.78 91.6 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.925 0.393 . . . . 0.0 110.351 -179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 73.5 mt -64.76 -39.57 93.83 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.237 0.542 . . . . 0.0 110.458 179.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.96 -34.17 72.92 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.692 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.73 -40.45 98.09 Favored Glycine 0 CA--C 1.526 0.766 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 25.2 mt -75.81 -23.69 55.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.82 0.343 . . . . 0.0 110.774 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.86 11.42 43.47 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 11.7 mt -79.09 60.46 2.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.869 0.366 . . . . 0.0 110.561 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -58.68 -24.48 61.41 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.601 179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 117' ' ' ARG . 0.0 OUTLIER -55.86 -45.01 78.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.889 -179.615 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.1 mt -64.07 -37.81 88.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.947 0.403 . . . . 0.0 110.418 -179.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 51.5 t -63.29 -43.32 98.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.605 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -60.33 -48.14 83.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.951 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.8 mp -65.71 -38.7 89.93 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.97 0.414 . . . . 0.0 109.973 178.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.462 HD11 HD12 ' A' ' 103' ' ' LEU . 4.8 tt -61.17 -42.42 98.53 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.14 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 1.2 tpp180 -62.7 -41.56 99.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.452 -0.499 . . . . 0.0 109.912 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.04 -44.21 87.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.162 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 80.8 mt -60.32 -40.54 90.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.548 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -56.83 -44.63 82.23 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.09 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 130' ' ' ILE . 70.3 mt -64.27 -44.86 97.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-O 121.199 0.523 . . . . 0.0 110.308 179.563 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 1.7 tp -66.0 -24.69 66.82 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.343 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 32.1 tp -57.78 -22.95 49.92 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.436 -178.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 127' ' ' ILE . 16.1 tt -62.11 -32.07 53.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.8 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 48.7 mm -57.76 -49.71 79.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.347 -179.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.4 p -63.43 -45.06 92.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.265 0.555 . . . . 0.0 110.447 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.552 ' NH1' ' O ' ' A' ' 96' ' ' ALA . 0.2 OUTLIER -63.69 -42.59 97.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.978 -179.379 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.91 -37.92 95.17 Favored Glycine 0 CA--C 1.521 0.422 0 N-CA-C 110.729 -0.949 . . . . 0.0 110.729 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 14.8 t -59.89 -44.05 94.46 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -60.08 -43.09 95.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.384 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.407 ' CE1' HD11 ' A' ' 141' ' ' ILE . 26.6 t80 -60.88 -52.08 66.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 110.693 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 20.1 mt -65.23 -41.73 94.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.763 -179.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 38.9 t -58.83 -43.55 90.71 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.455 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.43 22.06 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.864 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.407 HD11 ' CE1' ' A' ' 137' ' ' PHE . 95.6 mt -64.57 -43.44 96.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.944 0.402 . . . . 0.0 110.68 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -58.14 -45.07 88.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.968 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -63.19 -42.05 99.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.48 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -67.96 -41.52 82.31 Favored 'General case' 0 C--O 1.221 -0.404 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.524 179.628 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -54.17 -47.64 71.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.718 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.37 -50.96 70.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.916 0.388 . . . . 0.0 110.698 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -67.07 -33.47 75.57 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.138 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 144' ' ' ALA . 46.6 tp -71.31 -51.86 21.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.534 -179.798 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 22.8 t -84.02 120.72 75.23 Favored Pre-proline 0 CA--C 1.535 0.402 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.561 -179.073 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -74.87 -70.2 0.02 OUTLIER 'Trans proline' 0 N--CA 1.494 1.548 0 C-N-CA 121.867 1.711 . . . . 0.0 112.225 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.651 179.961 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.4 mm? . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.8 ttp180 -144.15 122.87 12.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.488 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.65 90.3 0.08 OUTLIER Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.463 ' O ' ' O ' ' A' ' 9' ' ' SER . 9.4 tp -120.9 107.6 12.89 Favored 'General case' 0 N--CA 1.467 0.423 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 179.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.463 ' O ' ' O ' ' A' ' 8' ' ' LEU . 48.5 t 51.11 169.79 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.564 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -149.44 118.87 6.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.597 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.6 tp -172.2 71.45 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.4 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -106.53 -28.76 5.0 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.15 56.04 0.59 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 111.105 -0.798 . . . . 0.0 111.105 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -167.18 -68.3 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 23.1 t -69.05 -27.71 36.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.713 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -64.68 -38.79 92.21 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.515 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -89.2 -53.51 4.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.194 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 22' ' ' MET . 35.3 mm -62.9 -43.29 98.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.503 -179.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.91 -60.45 4.96 Favored Glycine 0 CA--C 1.528 0.89 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -70.04 -45.04 67.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.765 0.317 . . . . 0.0 111.741 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 53.1 t -62.02 -25.89 38.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.673 -179.23 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.61 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 20.1 ttp -89.2 -41.39 12.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.735 0.303 . . . . 0.0 111.165 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -95.14 29.13 2.55 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.958 0.409 . . . . 0.0 110.159 -179.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.628 ' CE1' HG23 ' A' ' 27' ' ' VAL . 6.3 p80 -44.9 151.51 0.63 Allowed Pre-proline 0 CA--C 1.535 0.389 0 CA-C-N 116.174 -0.467 . . . . 0.0 109.985 -179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_exo -39.41 -39.8 1.84 Allowed 'Trans proline' 0 N--CA 1.494 1.554 0 C-N-CA 122.531 2.154 . . . . 0.0 113.21 -179.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.8 mp -57.79 -46.79 84.12 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.689 -0.405 . . . . 0.0 109.987 -179.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.628 HG23 ' CE1' ' A' ' 24' ' ' HIS . 2.1 t -64.09 -44.42 97.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.147 179.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 81.4 tt0 -46.95 -56.92 5.56 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.836 0.35 . . . . 0.0 110.97 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.48 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.9 mm? -66.04 -37.55 86.16 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.636 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -56.13 -47.57 80.14 Favored Glycine 0 CA--C 1.527 0.837 0 N-CA-C 111.309 -0.716 . . . . 0.0 111.309 -179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.59 -45.85 94.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 C-N-CA 120.898 -0.321 . . . . 0.0 110.635 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.7 p -61.27 -43.27 99.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.967 -179.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.409 ' CZ ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 t80 -60.05 -50.72 72.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.837 0.351 . . . . 0.0 110.251 179.7 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.85 -39.99 91.27 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.772 -179.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.47 -41.02 98.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.279 -179.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.0 mt -62.43 -44.58 96.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.066 0.46 . . . . 0.0 110.505 -179.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.685 ' O ' HG23 ' A' ' 41' ' ' VAL . 19.1 mt -66.34 -41.54 89.41 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.427 179.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 51.8 m -52.75 -46.17 67.36 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.589 -0.444 . . . . 0.0 111.353 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 57.7 t -65.26 -44.75 94.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.998 0.428 . . . . 0.0 111.158 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.35 -31.44 46.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.837 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.685 HG23 ' O ' ' A' ' 37' ' ' LEU . 37.4 t -61.55 -49.01 86.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.2 m -66.16 -39.09 83.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.711 -0.395 . . . . 0.0 110.512 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 ' O ' HG22 ' A' ' 47' ' ' THR . 54.1 t -62.02 -46.5 96.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 C-N-CA 120.823 -0.351 . . . . 0.0 110.518 179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.03 -47.61 92.38 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.139 0 CA-C-O 120.726 0.298 . . . . 0.0 111.04 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -66.78 -38.78 87.22 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.602 -0.439 . . . . 0.0 110.506 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 41.2 t80 -64.7 -52.24 58.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.603 179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.561 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.7 t -72.65 -44.47 61.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.143 0.497 . . . . 0.0 111.422 -178.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' THR . 53.4 mmm -109.56 140.76 42.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.734 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 50' ' ' LEU . 94.8 mm-40 -103.25 67.93 0.95 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.96 179.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 49' ' ' GLN . 68.3 mt -38.38 157.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.355 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.2 p -68.82 167.31 15.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.601 -179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.45 -43.05 66.22 Favored Glycine 0 CA--C 1.528 0.87 0 N-CA-C 111.641 -0.584 . . . . 0.0 111.641 -178.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.562 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.6 pm0 -59.28 -59.37 5.56 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.735 0.302 . . . . 0.0 110.786 -179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 33.5 m-85 -65.96 -34.16 77.48 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.575 179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.3 tp -60.63 -47.65 85.3 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.478 -0.489 . . . . 0.0 110.307 -179.103 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 51.4 t -63.17 -42.89 98.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.101 0.477 . . . . 0.0 109.771 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -60.81 -40.77 93.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.569 179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.62 ' C ' HD23 ' A' ' 58' ' ' LEU . 8.1 tt -61.76 -42.74 99.37 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.422 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -58.97 -39.52 81.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.471 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 14.9 tp -63.27 -42.15 99.1 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 -179.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 74.2 t -61.65 -41.84 91.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.725 179.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.439 ' O ' HG23 ' A' ' 66' ' ' VAL . 53.3 t0 -60.49 -38.71 85.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.491 179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 45.9 tp -60.06 -44.42 94.73 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.258 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.1 mm -62.99 -41.93 94.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.964 0.411 . . . . 0.0 110.456 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.2 mt -61.92 -42.03 98.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.151 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 62' ' ' ASP . 82.7 t -61.59 -42.68 95.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.796 -0.362 . . . . 0.0 110.218 179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 84.6 mt -57.41 -41.65 79.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 C-N-CA 120.665 -0.414 . . . . 0.0 110.384 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.4 mt -60.94 -44.7 98.55 Favored 'Isoleucine or valine' 0 C--O 1.24 0.596 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.807 -179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.4 mp -62.87 -41.44 99.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.374 179.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 11.7 m0 -58.71 -36.31 74.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.784 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.1 -53.46 57.88 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.739 -0.384 . . . . 0.0 110.719 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -63.68 -48.08 78.63 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.711 -179.477 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.524 ' OH ' HG22 ' A' ' 87' ' ' VAL . 1.1 t80 -61.18 -45.73 93.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.344 179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.25 -40.76 97.26 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.418 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.61 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 0.2 OUTLIER -60.94 -47.93 84.17 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.314 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -65.89 -41.24 91.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.354 -179.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.79 -45.34 90.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.066 -179.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -62.69 -43.08 99.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.437 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 51.4 mtmt -60.99 -33.98 74.09 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.484 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 34.0 p -61.04 -21.81 63.98 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.45 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.65 5.45 68.65 Favored Glycine 0 CA--C 1.522 0.482 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -150.63 82.34 6.19 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 110.159 -0.311 . . . . 0.0 110.159 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.91 -40.97 74.04 Favored 'Trans proline' 0 N--CA 1.495 1.593 0 C-N-CA 122.51 2.14 . . . . 0.0 112.161 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -48.96 77.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.933 0.397 . . . . 0.0 110.692 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.62 -39.14 96.52 Favored Glycine 0 CA--C 1.519 0.313 0 N-CA-C 110.418 -1.073 . . . . 0.0 110.418 179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.4 t80 -59.94 -38.97 83.92 Favored 'General case' 0 N--CA 1.449 -0.521 0 C-N-CA 120.564 -0.454 . . . . 0.0 110.07 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG22 ' OH ' ' A' ' 73' ' ' TYR . 76.3 t -68.71 -44.24 82.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.93 -21.1 65.82 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.019 -178.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.47 -14.0 33.65 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 119.881 -0.727 . . . . 0.0 111.525 -178.254 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.557 HG23 ' CD1' ' A' ' 94' ' ' ILE . 12.3 t -125.58 39.17 4.02 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.139 -178.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 17.9 mt -64.93 -19.34 65.89 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.223 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.5 p90 -82.73 -9.43 59.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.867 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 75.5 tt0 -104.2 -28.61 11.33 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.578 0.228 . . . . 0.0 110.695 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.557 ' CD1' HG23 ' A' ' 90' ' ' THR . 1.4 mp -52.57 -48.69 89.47 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.954 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 74.3 Cg_exo -46.12 -39.28 20.32 Favored 'Trans proline' 0 N--CA 1.486 1.066 0 C-N-CA 121.687 1.591 . . . . 0.0 112.035 -178.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.26 93.2 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.896 0.379 . . . . 0.0 111.186 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 98' ' ' VAL . 33.0 mt -65.59 -39.08 91.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.611 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 97' ' ' LEU . 98.2 t -35.59 100.81 0.2 Allowed Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.975 -179.386 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -50.71 126.79 19.14 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 121.66 1.574 . . . . 0.0 112.173 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.82 -20.16 61.09 Favored 'General case' 0 CA--C 1.52 -0.196 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.076 179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.51 -44.08 90.56 Favored Glycine 0 CA--C 1.526 0.762 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 52.9 tp -63.53 -44.75 93.32 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.724 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.86 -39.06 92.95 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.562 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.12 -46.5 82.6 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.989 -179.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.97 -42.9 99.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.752 0.311 . . . . 0.0 110.831 179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.51 -43.25 96.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.152 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -61.57 -38.87 89.09 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.25 -40.02 98.56 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 63.9 t-80 -59.17 -44.36 92.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.116 0.484 . . . . 0.0 110.286 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.74 -41.95 99.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.069 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.46 -37.9 88.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 179.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.29 -41.53 87.24 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.637 -0.985 . . . . 0.0 110.637 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.402 HD23 ' HA ' ' A' ' 113' ' ' LEU . 81.4 mt -84.02 -17.8 39.19 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.776 179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.38 33.72 19.02 Favored Glycine 0 CA--C 1.528 0.85 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 71.4 mt -93.49 74.65 4.45 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.345 0.593 . . . . 0.0 110.43 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 53.9 m-85 -62.82 -30.89 71.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.648 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -54.9 -51.02 67.33 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.438 -179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 99.1 mt -63.47 -39.59 94.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.043 0.449 . . . . 0.0 110.029 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.85 -39.48 83.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.684 179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 50.0 ttp180 -55.77 -46.03 78.0 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-O 120.906 0.384 . . . . 0.0 110.589 -179.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.449 HD12 ' N ' ' A' ' 121' ' ' LEU . 10.1 mp -64.09 -39.09 93.3 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.232 -0.587 . . . . 0.0 109.974 178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 tp -61.39 -42.04 98.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.038 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.5 ttm180 -58.92 -42.64 90.2 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.322 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.47 -47.22 79.65 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.245 0.545 . . . . 0.0 109.684 -179.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.8 tp -60.75 -37.48 81.94 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.282 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -55.19 -40.04 70.29 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.412 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.26 -44.28 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 N-CA-C 109.203 -0.666 . . . . 0.0 109.203 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 128' ' ' LEU . 0.2 OUTLIER -62.57 -39.09 92.55 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.321 -0.552 . . . . 0.0 109.792 -179.524 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.432 ' O ' ' OG ' ' A' ' 132' ' ' SER . 59.9 tp -58.34 -42.55 87.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.23 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 90.9 mt -62.91 -43.39 98.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.306 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.64 -44.08 99.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.985 0.422 . . . . 0.0 110.536 -179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 129' ' ' LEU . 25.1 p -59.07 -44.67 91.89 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.405 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -68.9 -38.47 79.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.215 179.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.99 -32.75 56.66 Favored Glycine 0 CA--C 1.522 0.514 0 N-CA-C 110.986 -0.845 . . . . 0.0 110.986 -179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 73.3 m -51.55 -42.02 61.51 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.946 0.403 . . . . 0.0 110.475 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -65.49 -41.14 93.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.544 179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.513 ' CD2' ' N ' ' A' ' 138' ' ' LEU . 25.9 t80 -59.76 -70.87 0.14 Allowed 'General case' 0 N--CA 1.461 0.114 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.095 -179.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.513 ' N ' ' CD2' ' A' ' 137' ' ' PHE . 0.9 OUTLIER -53.41 -32.42 49.52 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.497 -179.091 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.0 t -59.8 -44.33 94.02 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.485 179.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -64.0 -44.2 93.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.242 -179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.432 HD12 ' N ' ' A' ' 141' ' ' ILE . 2.7 mp -64.88 -43.24 96.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.306 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -55.29 -45.08 76.23 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.589 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 55.5 t0 -64.09 -47.83 78.52 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.175 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.05 -41.5 98.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.051 -179.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.34 -46.62 85.87 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.596 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 78.1 m-20 -58.52 -48.54 80.49 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.482 -0.487 . . . . 0.0 110.829 -179.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -66.2 -42.42 88.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.557 179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 52.7 mt -64.28 -44.21 92.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.357 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 2.9 m -131.92 77.17 72.51 Favored Pre-proline 0 CA--C 1.53 0.173 0 N-CA-C 110.326 -0.25 . . . . 0.0 110.326 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -77.78 15.22 1.32 Allowed 'Trans proline' 0 C--N 1.314 -1.281 0 C-N-CA 122.631 2.22 . . . . 0.0 111.883 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 86.1 mtm180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.241 179.843 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.489 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.3 mp . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.5 ' HE ' ' CA ' ' A' ' 6' ' ' ARG . 0.0 OUTLIER 54.47 26.14 6.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.407 179.867 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.39 87.33 0.08 OUTLIER Glycine 0 CA--C 1.522 0.472 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt 58.46 156.88 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.9 0.381 . . . . 0.0 110.06 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 38.1 t -64.79 -33.69 76.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.325 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -58.18 127.29 31.37 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.19 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.67 33.66 4.09 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.401 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -74.76 -0.92 60.69 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 -179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -59.76 -51.84 56.57 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.8 mtt85 -66.06 -37.58 86.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.292 0.568 . . . . 0.0 109.793 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' GLY . 3.5 t -70.62 -23.58 24.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.922 -179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -59.8 -49.01 79.38 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.794 -178.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.412 ' OD1' ' N ' ' A' ' 17' ' ' ASN . 2.9 p-10 -75.12 -49.75 18.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.418 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 93.0 mt -62.63 -45.02 99.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.277 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -64.39 -50.98 56.42 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.831 -0.699 . . . . 0.0 111.762 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -61.44 -42.38 98.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 122.411 -0.464 . . . . 0.0 110.685 -179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 41.3 t -66.93 -42.24 88.6 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.511 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.543 ' SD ' ' CD1' ' A' ' 75' ' ' TYR . 4.3 ttp -86.14 -9.54 56.45 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 -179.094 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 19' ' ' GLY . 24.4 tp10 -112.75 28.11 9.07 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.556 ' O ' HG12 ' A' ' 27' ' ' VAL . 47.7 t-80 -54.66 132.52 64.76 Favored Pre-proline 0 CA--C 1.539 0.524 0 C-N-CA 120.625 -0.43 . . . . 0.0 109.942 -179.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -39.22 -35.33 0.67 Allowed 'Trans proline' 0 N--CA 1.49 1.295 0 C-N-CA 121.946 1.764 . . . . 0.0 113.118 -178.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.7 pp -68.47 -39.65 81.3 Favored 'General case' 0 N--CA 1.461 0.11 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.505 -179.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.8 OUTLIER -65.25 -33.25 62.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.938 -179.136 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.5 tp10 -68.43 -60.61 2.31 Favored 'General case' 0 C--N 1.321 -0.661 0 C-N-CA 120.791 -0.364 . . . . 0.0 110.681 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 42.5 mt -66.45 -38.69 87.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.906 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.39 -47.74 87.94 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 27' ' ' VAL . 64.7 t -63.87 -46.46 94.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.785 0.326 . . . . 0.0 110.558 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 43.0 t -62.02 -43.65 98.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.563 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -60.54 -45.46 93.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.252 179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.52 ' HB3' HD21 ' A' ' 69' ' ' LEU . . . -62.22 -36.02 80.69 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.941 -0.304 . . . . 0.0 111.246 -179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.81 -68.94 0.14 Allowed 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.036 0.446 . . . . 0.0 111.286 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.2 pp -59.48 -30.54 68.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.25 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HG23 ' A' ' 41' ' ' VAL . 0.2 OUTLIER -61.57 -40.24 94.03 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 121.063 0.459 . . . . 0.0 109.975 -179.805 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 43.6 m -70.21 -35.64 74.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.353 -0.539 . . . . 0.0 110.168 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.1 t -61.8 -49.76 82.97 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.942 -179.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.414 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.0 pp -68.51 -31.64 52.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.445 -178.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.612 HG23 ' O ' ' A' ' 37' ' ' LEU . 25.5 t -59.79 -46.03 94.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.258 0 CA-C-N 116.642 -0.254 . . . . 0.0 110.326 179.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.459 ' CG1' HD11 ' A' ' 130' ' ' ILE . 94.7 t -63.62 -42.43 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 N-CA-C 109.644 -0.502 . . . . 0.0 109.644 179.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.3 t -60.66 -43.35 94.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.771 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.414 HG23 ' O ' ' A' ' 40' ' ' ILE . 52.9 t -59.15 -44.87 92.71 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.63 0.253 . . . . 0.0 110.458 -179.589 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -63.71 -44.65 93.0 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.403 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -65.87 -45.03 83.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.356 179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 p -77.72 -68.97 0.57 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.736 0.303 . . . . 0.0 111.179 -178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 58.9 mtt -83.49 143.14 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.018 0.437 . . . . 0.0 110.506 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.402 ' O ' ' O ' ' A' ' 50' ' ' LEU . 13.1 pt20 -114.26 61.74 0.67 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.045 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 49' ' ' GLN . 71.6 mt -46.31 172.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.461 -179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 75.1 m -72.31 176.31 5.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.088 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.69 -35.58 89.92 Favored Glycine 0 CA--C 1.529 0.94 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.455 -179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -57.83 -65.18 0.68 Allowed 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.813 0.34 . . . . 0.0 111.653 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -58.04 -33.28 68.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.586 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.48 -43.96 80.13 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.939 179.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.3 t -64.26 -46.43 93.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.071 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 23.4 mtt85 -63.03 -40.56 98.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.012 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.57 -43.43 98.87 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.913 0.387 . . . . 0.0 110.594 -179.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -63.66 -39.99 95.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.677 179.626 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 32.3 tp -63.56 -43.15 97.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.135 0.493 . . . . 0.0 110.002 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 68.1 t -63.17 -44.05 99.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.455 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -60.68 -40.87 93.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.645 -179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 14.6 tp -62.36 -42.79 99.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.463 -179.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.66 -44.82 99.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.933 0.396 . . . . 0.0 110.257 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.5 mt -66.41 -37.82 86.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.328 179.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 HG13 ' NE1' ' A' ' 70' ' ' TRP . 2.4 t -57.38 -48.84 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.19 0 N-CA-C 110.13 -0.322 . . . . 0.0 110.13 -179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 82.6 mt -64.75 -43.68 96.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.288 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.487 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 93.4 mt -63.29 -44.28 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 N-CA-C 111.812 0.301 . . . . 0.0 111.812 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' A' ' 34' ' ' ALA . 45.7 mt -62.28 -58.77 6.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.787 0.327 . . . . 0.0 110.982 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.589 ' CE2' HD22 ' A' ' 97' ' ' LEU . 1.2 m95 -60.52 -19.83 58.27 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.316 179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 68' ' ' ILE . . . -48.76 -44.64 38.89 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.0 -0.37 . . . . 0.0 110.0 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 1.2 p30 -74.4 -44.87 50.14 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 120.979 -0.288 . . . . 0.0 111.695 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.504 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 3.5 t80 -60.21 -47.84 84.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.846 0.355 . . . . 0.0 110.281 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -61.69 -41.71 97.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.754 -179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.543 ' CD1' ' SD ' ' A' ' 22' ' ' MET . 28.6 t80 -62.03 -48.55 79.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.968 0.413 . . . . 0.0 110.431 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 48.1 mmm-85 -68.2 -38.68 82.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.093 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.42 -48.16 74.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.906 0.384 . . . . 0.0 110.666 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -76.44 -25.44 54.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.359 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.3 -36.48 77.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.323 -179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 85.4 p -71.92 -10.16 59.38 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.965 -0.294 . . . . 0.0 110.801 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.75 19.84 75.35 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -153.54 70.95 6.75 Favored Pre-proline 0 C--N 1.325 -0.495 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 -179.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.674 ' O ' HG23 ' A' ' 87' ' ' VAL . 14.5 Cg_endo -54.67 -41.41 77.87 Favored 'Trans proline' 0 N--CA 1.496 1.626 0 C-N-CA 121.758 1.638 . . . . 0.0 112.074 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.0 -41.71 97.39 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.275 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.15 -43.34 81.06 Favored Glycine 0 CA--C 1.526 0.777 0 N-CA-C 111.169 -0.772 . . . . 0.0 111.169 179.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.437 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 27.7 t80 -66.73 -23.04 66.05 Favored 'General case' 0 C--O 1.223 -0.302 0 C-N-CA 121.09 -0.244 . . . . 0.0 110.841 -179.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.674 HG23 ' O ' ' A' ' 83' ' ' PRO . 43.6 t -79.1 -38.9 20.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 64.6 mttm -44.25 -24.72 0.18 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.749 -178.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.62 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.0 ptmt -97.33 -17.17 19.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.339 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.62 HG23 ' HG3' ' A' ' 89' ' ' LYS . 8.0 p -119.95 38.08 4.03 Favored 'General case' 0 N--CA 1.469 0.511 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.774 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.8 mt -62.38 -45.16 94.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.947 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -77.9 10.7 2.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.17 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -105.52 -17.94 14.26 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -69.52 -36.94 7.56 Favored Pre-proline 0 CA--C 1.537 0.45 0 C-N-CA 120.545 -0.462 . . . . 0.0 111.058 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 27.6 Cg_exo -62.44 -28.08 77.77 Favored 'Trans proline' 0 N--CA 1.499 1.826 0 C-N-CA 122.742 2.295 . . . . 0.0 112.295 -179.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.528 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -75.3 -18.13 60.11 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.904 -178.714 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.589 HD22 ' CE2' ' A' ' 70' ' ' TRP . 0.7 OUTLIER -89.1 -8.37 53.98 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 98.9 t -57.07 119.86 34.26 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.43 137.84 31.5 Favored 'Trans proline' 0 N--CA 1.489 1.259 0 C-N-CA 121.322 1.348 . . . . 0.0 112.218 -179.339 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.13 -30.7 71.8 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.808 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -54.42 -33.58 53.61 Favored Glycine 0 CA--C 1.528 0.853 0 C-N-CA 120.955 -0.64 . . . . 0.0 111.539 -179.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -67.07 -65.81 0.64 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 111.356 -179.189 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.4 pp -60.71 -31.22 70.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.247 -179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.92 -47.72 82.0 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.588 179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 20.2 mt -63.21 -42.68 99.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.412 179.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 66.2 mt -66.89 -42.88 89.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.907 179.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -62.55 -40.33 96.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.239 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.34 -40.78 99.49 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -64.5 -46.57 82.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 83.1 mt -61.76 -41.22 97.39 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.357 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.11 -36.22 81.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.961 0.41 . . . . 0.0 110.018 179.413 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.5 -39.77 97.78 Favored Glycine 0 CA--C 1.529 0.916 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 11.0 mp -70.66 -8.95 55.7 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.319 179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 84.04 17.51 65.02 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.826 -0.909 . . . . 0.0 110.826 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 41.6 mt -89.7 113.42 24.91 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -104.89 -17.14 14.66 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.565 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -63.01 -47.67 82.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.582 179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 118' ' ' LEU . 11.0 mp -65.57 -38.51 89.73 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.121 -0.49 . . . . 0.0 109.757 179.296 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 86.7 t -59.39 -32.73 49.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.651 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 37.3 ttm-85 -58.05 -46.99 84.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.861 0.362 . . . . 0.0 110.334 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 121' ' ' LEU . 8.6 mp -63.64 -41.93 98.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.342 179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -62.03 -44.06 97.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.833 0.349 . . . . 0.0 110.165 179.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 59.4 ttp180 -64.02 -43.02 96.88 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 119.988 -0.685 . . . . 0.0 109.707 179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -63.65 -37.57 87.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.505 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.86 -38.46 78.82 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -52.87 -38.93 62.16 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.359 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.706 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.9 mp -64.52 -43.0 96.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.593 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 91.5 mt -61.54 -41.3 97.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 110.711 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 33.5 mt -63.77 -38.57 91.61 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.165 179.404 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 42' ' ' VAL . 10.0 mm -61.41 -41.07 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 N-CA-C 109.727 -0.472 . . . . 0.0 109.727 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.88 -44.38 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 C-N-CA 120.438 -0.505 . . . . 0.0 109.94 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 11.1 t -61.48 -48.21 82.14 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.35 0.595 . . . . 0.0 110.704 179.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.528 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 72.4 mtt-85 -62.89 -34.06 76.61 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.635 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -60.43 -35.84 89.69 Favored Glycine 0 CA--C 1.522 0.479 0 N-CA-C 110.433 -1.067 . . . . 0.0 110.433 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 38.3 t -62.68 -44.72 95.52 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 121.192 0.52 . . . . 0.0 109.845 179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 29.0 ttpt -64.93 -38.14 89.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.459 178.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -58.31 -47.06 84.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.109 179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 76.3 mt -61.45 -40.56 94.94 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.758 -0.46 . . . . 0.0 109.758 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.7 m -59.9 -42.09 93.07 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.626 179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.34 -50.51 72.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.011 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.454 ' CD1' ' N ' ' A' ' 141' ' ' ILE . 1.3 mp -64.33 -45.15 96.89 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -63.31 -41.11 98.91 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.901 0.382 . . . . 0.0 110.199 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 52.9 t0 -64.79 -45.8 84.74 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.768 179.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.89 -42.17 97.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.716 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.94 -37.76 86.89 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.213 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.507 ' O ' ' CG2' ' A' ' 149' ' ' VAL . 52.6 t0 -63.06 -38.72 92.31 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.507 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 5.3 mtpm? -76.76 -41.71 43.74 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.794 179.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 17.3 mt -73.18 -53.59 10.57 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.991 -0.549 . . . . 0.0 111.034 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 146' ' ' ASP . 3.2 t 52.96 60.19 12.81 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.46 146.39 44.45 Favored 'Trans proline' 0 C--N 1.308 -1.605 0 C-N-CA 122.547 2.164 . . . . 0.0 111.724 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.968 -1.015 . . . . 0.0 110.258 -179.853 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.564 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.068 -0.716 . . . . 0.0 109.068 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 mpp_? -75.41 148.56 39.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.053 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.4 -179.2 0.27 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.7 mp 54.36 92.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.7 p -164.8 -40.38 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.42 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -99.33 111.93 24.2 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.566 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.554 ' N ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -103.01 -90.79 0.36 Allowed 'General case' 0 N--CA 1.47 0.536 0 CA-C-N 116.162 -0.472 . . . . 0.0 109.987 -179.831 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' C ' ' H ' ' A' ' 14' ' ' ARG . . . 63.1 138.12 0.01 OUTLIER Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 71.39 -40.52 0.61 Allowed Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.462 ' H ' ' C ' ' A' ' 12' ' ' GLY . 16.9 mmm-85 -63.01 -31.44 72.58 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-O 120.833 0.349 . . . . 0.0 110.772 179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 99.3 t -59.87 -46.92 93.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.867 -178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 85.3 mtm180 -66.68 -39.64 88.22 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.583 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -63.14 -44.67 94.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.32 -179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.568 ' O ' ' N ' ' A' ' 22' ' ' MET . 94.3 mt -64.98 -44.31 96.07 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.547 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.58 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.42 -51.69 52.79 Favored Glycine 0 CA--C 1.524 0.649 0 C-N-CA 120.374 -0.917 . . . . 0.0 111.373 -178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 88.5 m-20 -64.73 -44.27 90.73 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.002 0.43 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.8 t -76.06 -20.64 15.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.764 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.568 ' N ' ' O ' ' A' ' 18' ' ' ILE . 1.1 tmt? -95.12 -9.06 34.68 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.733 0.301 . . . . 0.0 111.053 -178.742 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -120.16 -5.32 9.97 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.417 179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.521 ' O ' HG12 ' A' ' 27' ' ' VAL . 17.1 t-80 -46.31 135.09 7.29 Favored Pre-proline 0 CA--C 1.54 0.579 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.216 -178.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_endo -46.76 -33.6 14.15 Favored 'Trans proline' 0 N--CA 1.497 1.688 0 C-N-CA 121.337 1.358 . . . . 0.0 112.389 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.484 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -64.91 -39.66 93.87 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.3 OUTLIER -62.77 -35.28 70.11 Favored 'Isoleucine or valine' 0 C--O 1.232 0.177 0 CA-C-O 121.124 0.487 . . . . 0.0 109.824 -179.528 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -61.25 -57.23 13.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.246 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.526 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.2 mm? -66.3 -39.53 89.4 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.06 -47.94 83.45 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 -179.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -63.84 -48.64 85.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.749 -0.38 . . . . 0.0 110.636 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.451 ' O ' ' HB3' ' A' ' 35' ' ' ALA . 74.6 m -62.91 -45.16 93.83 Favored 'General case' 0 C--N 1.327 -0.387 0 C-N-CA 120.763 -0.375 . . . . 0.0 111.187 -179.721 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -59.73 -49.5 77.49 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.353 0.597 . . . . 0.0 110.112 -179.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.48 -29.94 69.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.981 179.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 32' ' ' SER . . . -64.15 -39.6 94.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.724 179.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.6 mp -63.38 -44.84 93.59 Favored 'General case' 0 N--CA 1.464 0.239 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.575 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.0 mm? -64.31 -42.61 96.26 Favored 'General case' 0 C--N 1.326 -0.433 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.98 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.418 ' O ' HG23 ' A' ' 42' ' ' VAL . 16.1 m -58.87 -45.98 88.86 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.325 -178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -65.26 -45.9 92.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.649 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -64.24 -42.78 96.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.767 -178.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 37' ' ' LEU . 62.5 t -59.46 -44.13 92.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.96 -179.333 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 38' ' ' SER . 75.3 t -60.37 -44.6 96.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.697 0.285 . . . . 0.0 110.305 -179.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.5 t -64.01 -41.7 93.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.664 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 t -58.0 -45.81 87.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.488 -179.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.0 tp10 -62.68 -47.81 82.04 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.272 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 76.7 t80 -63.37 -45.0 93.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.159 179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 41.5 p -77.29 -65.79 0.91 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.057 -178.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.1 mtm -91.63 140.8 29.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.054 0.454 . . . . 0.0 110.685 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -108.29 64.6 0.62 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.095 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.6 mt -44.83 164.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.562 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.8 t -60.74 159.4 11.01 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.888 -179.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.49 -40.9 62.92 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -50.3 -63.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.901 0.381 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -64.58 -28.85 69.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.283 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -59.75 -45.91 90.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.079 -179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 71.1 t -64.97 -45.9 93.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.097 179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -63.83 -41.26 97.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.2 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.476 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 0.8 OUTLIER -61.59 -43.74 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.53 -179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.88 -41.49 97.92 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.144 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.54 -40.99 98.56 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.194 -179.06 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.7 t -61.93 -44.29 98.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.539 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.549 ' OD1' HG11 ' A' ' 41' ' ' VAL . 0.5 OUTLIER -63.32 -35.6 80.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.955 0.407 . . . . 0.0 110.319 -178.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.9 tp -61.66 -45.07 95.58 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.241 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.0 mt -62.99 -41.66 93.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.536 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 30.8 mt -57.52 -40.49 78.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.311 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.516 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 69.7 t -64.18 -42.93 97.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.703 179.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.3 mp -54.56 -45.12 71.11 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-O 120.795 0.331 . . . . 0.0 110.471 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 66.1 mt -61.38 -44.15 97.98 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 C-N-CA 120.463 -0.495 . . . . 0.0 109.991 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.0 mt -63.51 -39.0 93.28 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.952 0.406 . . . . 0.0 110.344 179.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.516 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.5 m0 -56.58 -37.26 70.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.654 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.71 -56.36 12.32 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.515 -0.474 . . . . 0.0 111.28 -178.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -63.5 -40.61 97.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.093 -179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -59.21 -46.65 87.88 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.355 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.52 -48.81 76.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.172 -179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -61.8 -47.48 84.95 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.782 -179.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -59.51 -41.58 90.25 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.741 -179.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.94 -41.58 87.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.678 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -72.89 -38.63 66.87 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.508 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -58.47 -39.22 79.35 Favored 'General case' 0 C--N 1.324 -0.513 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.352 -179.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 36.6 t -60.27 -20.42 58.95 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.515 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 73.95 1.61 59.74 Favored Glycine 0 C--N 1.333 0.397 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -148.2 71.76 11.05 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.684 ' O ' HG23 ' A' ' 87' ' ' VAL . 6.3 Cg_endo -47.94 -40.44 32.87 Favored 'Trans proline' 0 N--CA 1.492 1.44 0 C-N-CA 122.003 1.802 . . . . 0.0 112.523 -179.018 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.88 -49.0 77.98 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.464 -0.494 . . . . 0.0 110.688 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -38.06 92.73 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.449 -1.06 . . . . 0.0 110.449 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -61.64 -44.24 97.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.946 0.403 . . . . 0.0 110.987 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.684 HG23 ' O ' ' A' ' 83' ' ' PRO . 82.1 t -61.11 -45.56 98.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.584 -0.447 . . . . 0.0 110.833 -179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -50.95 -21.14 1.6 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.9 ttpt -87.94 -23.38 23.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.364 -179.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 94' ' ' ILE . 39.7 p -104.93 30.32 5.61 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.656 -179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 83.0 mt -61.86 -41.22 97.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.511 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 51.0 p90 -81.13 -21.01 40.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.683 179.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 24.9 tp10 -104.12 0.16 29.33 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.865 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.571 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 0.3 OUTLIER -70.99 -41.64 11.32 Favored Pre-proline 0 CA--C 1.542 0.636 0 N-CA-C 110.187 -0.301 . . . . 0.0 110.187 179.254 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.571 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -54.67 -38.54 91.13 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.321 2.014 . . . . 0.0 112.65 -178.656 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -52.58 -19.89 2.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.609 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 35.4 mt -102.71 40.18 1.41 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.936 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 40.3 t -112.61 95.01 30.63 Favored Pre-proline 0 N--CA 1.47 0.563 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_exo -53.8 137.22 67.52 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.174 1.916 . . . . 0.0 112.144 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.93 -25.3 61.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.531 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -59.26 -43.48 97.19 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.39 -46.63 87.77 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 121.473 0.654 . . . . 0.0 110.053 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.546 HD12 ' N ' ' A' ' 103' ' ' LEU . 9.6 mp -65.69 -37.17 85.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.988 179.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.76 -49.24 65.91 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.464 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.2 mt -63.56 -40.05 95.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.428 179.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.8 mt -62.08 -43.29 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.28 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -58.69 -42.93 89.71 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.159 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.66 -42.36 97.3 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.213 -0.755 . . . . 0.0 111.213 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.485 ' CE1' HD11 ' A' ' 113' ' ' LEU . 20.2 t-80 -61.81 -44.14 97.44 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.791 0.329 . . . . 0.0 110.765 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.2 mt -63.16 -42.37 99.42 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.651 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.31 -40.29 95.62 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -61.89 -39.3 97.34 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.485 HD11 ' CE1' ' A' ' 109' ' ' HIS . 88.1 mt -70.27 -20.66 63.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.592 0.234 . . . . 0.0 110.869 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 99.77 14.96 32.86 Favored Glycine 0 CA--C 1.526 0.775 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.482 ' N ' HD12 ' A' ' 115' ' ' LEU . 10.9 mp -91.85 129.22 37.86 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -121.33 -19.39 7.04 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.31 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -63.58 -47.3 82.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.623 -179.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.569 ' N ' HD12 ' A' ' 118' ' ' LEU . 10.4 mp -64.87 -33.37 75.85 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.199 -0.455 . . . . 0.0 109.934 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.76 -45.41 91.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.013 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -62.97 -46.89 85.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.981 0.419 . . . . 0.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.81 -41.25 97.92 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.457 179.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 7.2 tt -62.36 -41.58 98.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.972 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 36.3 ttp85 -59.63 -37.65 79.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.141 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.38 -27.44 56.23 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.815 179.231 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 44.0 tp -58.1 -33.91 69.62 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 13.1 tpp180 -58.04 -43.81 87.02 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.275 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 35.6 mm -63.02 -44.84 99.86 Favored 'Isoleucine or valine' 0 C--O 1.237 0.424 0 CA-C-O 121.026 0.441 . . . . 0.0 109.989 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.6 -38.25 90.41 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.712 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 44.6 tp -64.66 -40.25 95.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.481 179.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 9.6 mm -58.36 -49.8 80.76 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.378 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.534 -179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 9.4 tt -65.66 -40.64 88.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.156 -0.618 . . . . 0.0 110.337 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.8 m -60.82 -48.42 81.88 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.858 -0.337 . . . . 0.0 110.897 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 21.4 mmm-85 -71.12 -30.12 66.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.15 0.5 . . . . 0.0 110.079 179.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.24 -32.29 82.11 Favored Glycine 0 C--O 1.224 -0.509 0 N-CA-C 110.771 -0.931 . . . . 0.0 110.771 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.3 p -59.53 -42.97 93.5 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.85 -0.34 . . . . 0.0 110.48 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 16.7 ttmm -65.48 -52.95 49.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.864 0.364 . . . . 0.0 110.065 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -64.03 -47.61 79.54 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.648 179.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 138' ' ' LEU . 3.0 tm? -59.14 -47.99 83.26 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.488 -177.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.2 m -62.76 -38.62 91.29 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 120.426 -0.51 . . . . 0.0 110.016 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -59.01 -54.42 47.29 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 116.132 -0.486 . . . . 0.0 112.002 -179.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 35.6 mm -67.43 -42.02 86.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.555 -179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -50.26 -51.36 45.38 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 120.95 -0.3 . . . . 0.0 110.446 -179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -63.47 -46.08 87.84 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.913 0.387 . . . . 0.0 110.819 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.477 ' O ' HD13 ' A' ' 148' ' ' LEU . . . -64.25 -38.12 89.91 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.971 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -61.82 -42.6 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.525 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -65.87 -31.53 72.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.127 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 23.0 mtpp -79.75 -39.37 31.2 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.973 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.494 ' O ' ' C ' ' A' ' 149' ' ' VAL . 7.3 mp -67.06 -60.47 2.6 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.568 -178.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.494 ' C ' ' O ' ' A' ' 148' ' ' LEU . 0.4 OUTLIER 19.49 78.83 0.16 Allowed Pre-proline 0 N--CA 1.472 0.627 0 O-C-N 123.805 0.691 . . . . 0.0 111.381 179.856 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -76.22 -21.18 13.88 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 122.235 1.957 . . . . 0.0 112.344 -177.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 14.3 ptp180 . . . . . 0 C--N 1.324 -0.513 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.601 179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 77.4 mt . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 80.2 ttt180 -156.11 113.18 3.19 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.651 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.481 ' N ' ' OD2' ' A' ' 10' ' ' ASP . . . 75.09 -12.92 6.13 Favored Glycine 0 CA--C 1.522 0.5 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 179.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.4 mt -119.04 133.16 55.98 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.482 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.1 t 49.12 34.2 5.63 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.675 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 16.7 p-10 -129.08 114.66 16.64 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.57 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.413 ' HG ' HD22 ' A' ' 17' ' ' ASN . 8.2 tp -82.75 -109.05 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.315 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.519 -179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.494 ' HA3' ' H ' ' A' ' 17' ' ' ASN . . . -142.11 26.91 2.31 Favored Glycine 0 N--CA 1.467 0.712 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 54.52 24.67 32.21 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.384 -1.087 . . . . 0.0 110.384 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 46.2 ttp180 62.79 28.23 16.38 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 121.375 0.607 . . . . 0.0 109.802 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.4 t -147.43 -63.98 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.7 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 30.9 mmm-85 -48.13 -64.17 0.87 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.296 -178.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.494 ' H ' ' HA3' ' A' ' 12' ' ' GLY . 71.8 m-20 -63.4 -43.55 97.21 Favored 'General case' 0 CA--C 1.516 -0.329 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.245 -179.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.615 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -62.35 -47.02 94.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.513 -179.261 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.96 -51.14 59.12 Favored Glycine 0 CA--C 1.523 0.562 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.703 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.426 ' OD1' ' O ' ' A' ' 16' ' ' ARG . 2.3 m-20 -66.05 -18.56 65.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.698 0.285 . . . . 0.0 110.818 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 13.3 t -92.14 -53.0 9.29 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.686 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -12.12 45.31 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.674 -179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -107.98 23.05 15.07 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 179.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.413 ' O ' HG12 ' A' ' 27' ' ' VAL . 10.5 t-80 -45.94 132.67 6.97 Favored Pre-proline 0 CA--C 1.538 0.49 0 C-N-CA 120.769 -0.372 . . . . 0.0 110.001 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -42.15 -31.92 1.79 Allowed 'Trans proline' 0 N--CA 1.494 1.525 0 C-N-CA 121.886 1.724 . . . . 0.0 112.744 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.53 -42.26 87.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.812 0.339 . . . . 0.0 110.932 -179.153 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.413 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.5 OUTLIER -67.58 -34.77 70.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.609 -179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.0 -46.07 89.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.868 -178.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 6.4 tt -65.21 -42.41 93.52 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.0 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.86 -47.77 89.57 Favored Glycine 0 CA--C 1.523 0.566 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.48 -43.54 96.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.917 0.389 . . . . 0.0 110.061 179.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 91.3 p -58.48 -40.19 82.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.55 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -61.11 -49.3 77.85 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.119 0.485 . . . . 0.0 110.325 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.18 -36.29 75.06 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.573 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.06 84.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.658 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.57 -40.89 96.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.053 0.454 . . . . 0.0 110.247 -179.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.506 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.1 mm? -72.77 -27.99 62.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.258 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.56 ' O ' HG23 ' A' ' 42' ' ' VAL . 7.2 t -73.99 -48.68 28.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.643 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.501 HG13 ' N ' ' A' ' 40' ' ' ILE . 8.0 p -63.56 -43.84 98.41 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.195 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.546 -179.13 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.501 ' N ' HG13 ' A' ' 39' ' ' VAL . 10.6 tp -66.49 -39.32 83.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.614 -179.566 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 37' ' ' LEU . 6.2 t -60.43 -44.01 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.292 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.593 HG21 HH21 ' A' ' 133' ' ' ARG . 93.7 t -60.32 -43.47 93.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.467 -179.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.468 ' O ' HG22 ' A' ' 47' ' ' THR . 98.2 t -60.81 -43.49 95.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.95 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -59.43 -47.35 91.02 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 C-N-CA 121.049 -0.261 . . . . 0.0 110.898 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' OE2' ' NH2' ' A' ' 126' ' ' ARG . 0.0 OUTLIER -66.22 -38.64 88.43 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.616 -179.85 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -67.19 -55.31 14.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.371 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.505 HG23 ' N ' ' A' ' 48' ' ' MET . 9.0 t -66.31 -45.45 80.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.102 0.477 . . . . 0.0 111.137 -179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.505 ' N ' HG23 ' A' ' 47' ' ' THR . 19.5 mtt -110.9 134.97 52.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.298 179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -107.15 61.08 0.62 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.025 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.1 mt -41.87 160.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.322 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 29.1 t -59.51 157.95 10.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.559 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' O ' HG23 ' A' ' 56' ' ' VAL . . . -49.88 -39.43 32.57 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.908 -0.877 . . . . 0.0 110.908 -179.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.9 tt0 -55.95 -62.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.901 0.382 . . . . 0.0 110.746 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 14.4 m-85 -62.42 -34.61 77.1 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.119 179.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 8.3 tp -61.4 -43.32 99.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 -179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 52' ' ' GLY . 34.8 t -60.93 -45.06 99.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.976 179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 72.2 ttt-85 -62.85 -42.17 99.64 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.16 -179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.5 tt -62.26 -40.68 97.02 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.479 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -61.07 -37.92 84.39 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.255 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -42.71 99.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.372 -179.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.9 t -62.66 -43.45 98.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.012 179.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.429 ' O ' HG23 ' A' ' 66' ' ' VAL . 48.3 t0 -60.37 -41.22 93.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.441 -179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.4 tp -61.19 -38.88 88.09 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.288 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.405 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 5.2 mm -61.4 -43.15 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 121.744 0.783 . . . . 0.0 109.975 -179.415 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.3 mt -66.78 -38.48 86.64 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.621 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.429 HG23 ' O ' ' A' ' 62' ' ' ASP . 55.2 t -59.89 -51.16 76.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.633 -0.427 . . . . 0.0 110.927 -179.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 32.1 pt -57.31 -36.14 51.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.768 -0.373 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -58.68 -44.61 90.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.1 -38.93 92.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.64 179.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.451 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 74.8 m95 -61.62 -31.05 71.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.858 0.361 . . . . 0.0 110.458 179.672 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.0 -53.55 19.5 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.302 -0.559 . . . . 0.0 110.851 -179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -75.39 -47.95 25.15 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 111.946 0.351 . . . . 0.0 111.946 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 79.5 t80 -61.55 -45.67 93.17 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.677 -179.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.451 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -65.2 -40.48 94.23 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.895 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -60.26 -48.06 83.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.477 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 29.2 ttm180 -64.99 -39.99 94.29 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.353 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.87 -50.45 73.98 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.174 0.511 . . . . 0.0 110.684 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -59.18 -38.5 79.95 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.096 179.701 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 30.6 tptt -59.61 -38.69 81.97 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.464 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 91.4 p -65.83 -32.68 74.35 Favored 'General case' 0 C--O 1.232 0.14 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.132 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 84.55 7.85 83.94 Favored Glycine 0 CA--C 1.52 0.371 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -143.81 73.98 16.66 Favored Pre-proline 0 C--N 1.328 -0.352 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.773 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.0 Cg_exo -52.12 -46.31 33.4 Favored 'Trans proline' 0 C--N 1.305 -1.745 0 C-N-CA 122.312 2.008 . . . . 0.0 111.993 179.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.09 -45.28 89.37 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.612 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.11 -37.85 82.71 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 43.1 t80 -69.08 -38.67 79.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.723 0.297 . . . . 0.0 110.679 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 83' ' ' PRO . 78.4 t -65.95 -47.82 83.99 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.201 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 32.9 mtmt -52.22 -17.57 1.17 Allowed 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -88.84 -18.85 26.78 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.951 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.2 p -126.76 39.43 3.92 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.917 0.389 . . . . 0.0 110.911 -179.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.602 HD12 ' H ' ' A' ' 92' ' ' TYR . 0.2 OUTLIER -69.91 -20.82 63.35 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.046 -0.525 . . . . 0.0 109.712 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . 0.602 ' H ' HD12 ' A' ' 91' ' ' LEU . 37.6 p90 -75.08 -21.19 59.12 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.452 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 13.5 tm-20 -101.06 -22.95 14.59 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.439 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.46 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 2.0 mm -49.75 -53.41 42.19 Favored Pre-proline 0 CA--C 1.54 0.586 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.038 179.021 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.46 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 71.7 Cg_exo -38.75 -35.73 0.55 Allowed 'Trans proline' 0 N--CA 1.489 1.235 0 C-N-CA 121.954 1.769 . . . . 0.0 112.406 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -66.46 -45.71 78.82 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.477 -0.489 . . . . 0.0 110.442 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 98' ' ' VAL . 46.1 mt -68.41 -38.5 81.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.749 179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.413 ' C ' ' O ' ' A' ' 97' ' ' LEU . 78.9 t -35.95 101.54 0.22 Allowed Pre-proline 0 CA--C 1.539 0.532 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_exo -53.71 141.41 64.76 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.849 1.699 . . . . 0.0 111.941 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.66 -28.35 68.51 Favored 'General case' 0 CA--C 1.519 -0.229 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.484 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.84 -35.72 91.73 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.85 -0.9 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.29 -48.57 77.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.211 0.529 . . . . 0.0 110.297 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 88.8 mt -66.45 -38.84 88.26 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.405 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.62 -42.7 79.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.449 -179.594 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 12.9 mt -62.12 -47.26 85.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.065 0.459 . . . . 0.0 110.156 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 91.7 mt -66.58 -44.28 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.867 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.6 tt0 -62.2 -39.07 91.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.511 -179.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.32 -42.65 99.83 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.704 -0.958 . . . . 0.0 110.704 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -59.29 -51.4 70.12 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.692 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.73 -41.27 99.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.315 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.47 -33.83 75.93 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.545 179.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.79 -36.21 89.11 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 8.4 mp -80.32 1.09 30.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.755 0.312 . . . . 0.0 110.213 -179.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 72.53 27.04 70.26 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.4 mt -87.62 75.75 9.0 Favored 'General case' 0 C--O 1.237 0.442 0 CA-C-O 121.562 0.696 . . . . 0.0 110.349 -179.583 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -64.02 -29.94 71.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.093 179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 43.7 mtt-85 -61.46 -42.19 98.39 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 120.194 -0.602 . . . . 0.0 110.275 179.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.464 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.1 mm? -67.29 -35.44 79.47 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.473 . . . . 0.0 110.126 179.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 84.0 t -58.96 -41.21 82.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.396 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 35.7 ttm180 -54.3 -44.72 72.21 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.906 0.384 . . . . 0.0 110.249 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.9 mp -63.62 -40.9 98.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.2 -0.455 . . . . 0.0 109.79 179.33 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -62.77 -41.42 99.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.2 mtt180 -59.55 -45.9 90.46 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.386 -0.525 . . . . 0.0 110.532 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -56.8 -41.3 77.49 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.492 -0.483 . . . . 0.0 109.874 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.33 -36.27 77.57 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.539 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.496 ' NH2' ' OE2' ' A' ' 45' ' ' GLU . 5.5 ttt180 -59.31 -42.73 92.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.588 -179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.472 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.6 mp -59.59 -42.83 89.49 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -60.61 -37.55 81.8 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.92 179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.438 ' C ' HD23 ' A' ' 129' ' ' LEU . 8.3 tt -60.7 -42.64 97.58 Favored 'General case' 0 C--N 1.324 -0.539 0 C-N-CA 120.592 -0.443 . . . . 0.0 110.085 -179.592 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.555 HD11 ' CG1' ' A' ' 42' ' ' VAL . 19.3 mm -62.03 -44.1 98.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 C-N-CA 120.604 -0.438 . . . . 0.0 110.709 178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.1 mm -64.32 -43.05 97.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.034 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 36.4 p -57.87 -46.23 85.17 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.407 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.593 HH21 HG21 ' A' ' 42' ' ' VAL . 16.7 ttp180 -79.75 -25.84 40.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.843 0.354 . . . . 0.0 110.735 179.457 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 130' ' ' ILE . . . -61.96 -29.28 72.08 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.721 -0.951 . . . . 0.0 110.721 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 66.6 m -53.71 -37.56 63.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.877 0.37 . . . . 0.0 110.101 -179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -65.31 -42.27 93.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.234 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 42.1 t80 -60.3 -47.22 86.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.292 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 41.5 mt -62.3 -41.57 98.63 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.139 -179.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 90.0 p -61.15 -38.61 87.07 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.52 -0.472 . . . . 0.0 110.543 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.57 -51.48 69.72 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.578 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.509 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.4 mp -66.21 -42.52 91.19 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.373 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.212 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.43 -47.56 66.3 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.653 -179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.35 -46.27 87.36 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.915 0.388 . . . . 0.0 111.203 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -68.6 -41.35 79.69 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -57.44 -34.35 68.88 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.388 -179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -62.19 -46.2 89.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 27.3 mtmm -79.67 -39.48 31.27 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.234 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.437 ' O ' ' C ' ' A' ' 149' ' ' VAL . 4.4 mm? -79.95 -50.76 9.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.257 -178.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.655 ' O ' HG22 ' A' ' 149' ' ' VAL . 2.2 p 32.25 71.01 0.68 Allowed Pre-proline 0 N--CA 1.465 0.308 0 O-C-N 123.463 0.477 . . . . 0.0 110.682 -179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -61.77 137.97 71.55 Favored 'Trans proline' 0 C--N 1.307 -1.607 0 C-N-CA 122.135 1.89 . . . . 0.0 111.722 -178.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.7 mtp85 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.127 -0.939 . . . . 0.0 111.359 179.031 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 5' ' ' LEU . 10.7 mp . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 82.6 mtm-85 -60.59 111.24 1.53 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.328 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.471 ' C ' ' H ' ' A' ' 9' ' ' SER . . . 167.04 -114.44 0.58 Allowed Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.58 -1.008 . . . . 0.0 110.58 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 8.9 tp 68.53 -42.66 0.48 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.773 0.32 . . . . 0.0 110.679 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.471 ' H ' ' C ' ' A' ' 7' ' ' GLY . 7.0 p -61.22 -155.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.459 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -92.47 103.99 16.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.615 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' CD1' ' NE ' ' A' ' 14' ' ' ARG . 0.1 OUTLIER -88.43 -84.47 0.2 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.333 179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.406 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 90.8 167.14 41.33 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 96.26 -59.69 1.36 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.478 ' NE ' ' CD1' ' A' ' 11' ' ' LEU . 35.5 ptt180 -64.83 -41.0 96.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.961 0.41 . . . . 0.0 110.551 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 16' ' ' ARG . 84.3 t -60.9 -60.45 2.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.186 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 15' ' ' VAL . 50.5 ttm-85 22.52 -118.04 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.868 0.73 . . . . 0.0 111.776 179.473 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -101.32 31.86 3.53 Favored 'General case' 0 CA--C 1.518 -0.282 0 N-CA-C 110.525 -0.176 . . . . 0.0 110.525 178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 19' ' ' GLY . 10.2 tp -52.03 -40.59 29.52 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.209 0 O-C-N 123.601 0.563 . . . . 0.0 110.776 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' N ' HG23 ' A' ' 18' ' ' ILE . . . -56.15 -58.65 13.18 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.136 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -71.09 -42.65 69.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.901 0.381 . . . . 0.0 111.115 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 42.1 t -62.8 -47.37 93.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.812 -179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 24' ' ' HIS . 6.7 tpt -62.31 -40.21 95.55 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.646 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 26.1 tp10 -74.8 25.41 0.09 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.226 0.536 . . . . 0.0 110.15 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.501 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.7 OUTLIER -47.19 145.78 3.41 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 109.593 -0.521 . . . . 0.0 109.593 -179.687 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_exo -42.08 -42.45 7.14 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 121.59 1.526 . . . . 0.0 112.559 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.4 mt -63.8 -41.4 97.9 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.495 -0.321 . . . . 0.0 110.445 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.472 HG11 ' O ' ' A' ' 22' ' ' MET . 2.3 t -63.0 -42.95 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -54.95 -49.45 71.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.49 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -65.94 -38.89 89.81 Favored 'General case' 0 CA--C 1.533 0.318 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.738 179.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -58.78 -44.07 96.08 Favored Glycine 0 CA--C 1.529 0.934 0 N-CA-C 111.274 -0.73 . . . . 0.0 111.274 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 61.9 t -64.95 -44.71 96.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.752 0.311 . . . . 0.0 110.638 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 90.2 p -60.21 -41.66 93.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.834 0.35 . . . . 0.0 110.647 -179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -62.58 -47.51 83.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.57 -179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.32 -38.11 73.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.302 -179.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -63.66 -38.3 90.59 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.548 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 HD13 ' CE1' ' A' ' 137' ' ' PHE . 55.2 tp -61.4 -44.9 96.36 Favored 'General case' 0 C--N 1.332 -0.184 0 C-N-CA 120.819 -0.353 . . . . 0.0 110.295 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.4 mp -64.39 -40.09 95.13 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.264 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.428 ' O ' HG12 ' A' ' 42' ' ' VAL . 47.8 p -61.35 -34.84 75.96 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.185 -0.606 . . . . 0.0 110.744 -179.362 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 35' ' ' ALA . 70.3 t -69.03 -47.87 72.97 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.668 0 CA-C-O 121.117 0.484 . . . . 0.0 112.077 -179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 44' ' ' VAL . 2.4 pp -74.4 -37.02 43.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.173 -0.611 . . . . 0.0 110.21 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.472 HG13 HD21 ' A' ' 58' ' ' LEU . 25.5 t -62.11 -48.16 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.45 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.468 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 38' ' ' SER . 12.1 p -62.91 -37.04 78.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 -179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.769 ' O ' HG22 ' A' ' 47' ' ' THR . 55.9 t -66.3 -45.9 88.51 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.316 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.164 178.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 40' ' ' ILE . 62.6 t -61.5 -48.99 86.28 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.445 0 N-CA-C 111.783 0.29 . . . . 0.0 111.783 -178.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.492 ' OE2' ' N ' ' A' ' 46' ' ' TYR . 0.1 OUTLIER -69.03 -31.58 70.47 Favored 'General case' 0 C--N 1.326 -0.431 0 C-N-CA 120.812 -0.355 . . . . 0.0 110.099 -179.374 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.492 ' N ' ' OE2' ' A' ' 45' ' ' GLU . 39.8 t80 -60.22 -49.44 77.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.344 178.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.769 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -90.26 -64.62 1.11 Allowed 'General case' 0 N--CA 1.469 0.487 0 CA-C-O 120.896 0.379 . . . . 0.0 111.286 -179.288 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.736 ' H ' HG23 ' A' ' 47' ' ' THR . 47.7 mtp -78.13 145.77 35.51 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.311 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.601 ' O ' HD23 ' A' ' 55' ' ' LEU . 12.8 pt20 -110.24 6.14 22.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' GLN . 58.0 mt 36.66 -135.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.887 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 48.2 t -125.54 153.9 42.95 Favored 'General case' 0 C--O 1.224 -0.27 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.13 -43.89 13.87 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -61.76 -50.24 73.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.93 0.395 . . . . 0.0 110.427 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -67.98 -31.13 70.64 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.458 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.601 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -60.53 -49.64 76.74 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.488 -179.447 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 77.9 t -65.19 -45.47 93.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.004 0.43 . . . . 0.0 110.463 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 71.0 ttp85 -62.66 -40.1 95.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.299 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.682 ' C ' HD23 ' A' ' 58' ' ' LEU . 7.9 tt -61.34 -46.1 91.68 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.359 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -68.51 -33.62 74.45 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.273 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 11.7 tp -61.53 -43.3 99.12 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.244 -0.434 . . . . 0.0 109.873 -178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.6 t -65.6 -42.15 92.27 Favored 'Isoleucine or valine' 0 C--O 1.237 0.4 0 CA-C-O 121.115 0.483 . . . . 0.0 110.679 179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -56.55 -33.3 65.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.713 -179.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 87.8 mt -61.2 -40.51 94.21 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.421 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.521 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.8 mp -62.59 -44.35 99.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.8 mt -61.83 -43.34 99.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.3 t -66.4 -41.45 88.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.892 0.377 . . . . 0.0 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.476 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 50.4 mt -58.21 -47.96 85.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.011 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 96.9 mt -67.66 -29.68 46.1 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 120.984 0.421 . . . . 0.0 111.406 -179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.34 -69.08 0.27 Allowed 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.004 0.431 . . . . 0.0 111.94 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.476 ' NE1' ' HA ' ' A' ' 67' ' ' ILE . 44.2 p-90 -63.65 -24.48 67.81 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 119.457 -0.897 . . . . 0.0 110.341 -178.188 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 67' ' ' ILE . . . -52.32 -50.93 61.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.025 179.521 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -66.03 -42.17 89.96 Favored 'General case' 0 C--O 1.233 0.204 0 C-N-CA 120.184 -0.606 . . . . 0.0 110.821 -179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -61.29 -43.91 98.09 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.865 179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -59.1 -42.17 89.84 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.62 -178.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -58.0 -51.03 71.34 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.132 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -65.84 -45.82 80.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.021 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.07 -48.95 77.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.94 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.4 t80 -65.0 -21.19 66.81 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.401 -179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -60.2 -38.16 82.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.693 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -63.2 -39.46 94.7 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 102.02 10.37 39.96 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.737 -0.945 . . . . 0.0 110.737 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -148.77 76.68 9.67 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 120.727 0.299 . . . . 0.0 110.37 179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.643 ' O ' HG23 ' A' ' 87' ' ' VAL . 52.2 Cg_exo -52.69 -42.88 59.71 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 122.59 2.193 . . . . 0.0 112.336 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.8 -47.35 85.54 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.876 0.369 . . . . 0.0 110.598 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.17 -32.23 69.04 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.405 ' O ' ' CG ' ' A' ' 89' ' ' LYS . 46.3 t80 -76.86 -24.69 52.62 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.074 -179.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.643 HG23 ' O ' ' A' ' 83' ' ' PRO . 47.5 t -79.36 -40.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.661 0.267 . . . . 0.0 111.232 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -47.42 -24.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.976 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.637 ' HG3' HG23 ' A' ' 90' ' ' THR . 16.7 ptmt -95.38 -10.86 28.84 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.333 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.637 HG23 ' HG3' ' A' ' 89' ' ' LYS . 29.5 p -122.13 39.78 3.81 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.708 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.56 -18.28 64.72 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.518 179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -91.29 4.09 53.23 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -105.88 -23.08 12.77 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 116.499 -0.318 . . . . 0.0 110.735 179.459 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 7.9 mm -72.48 -35.72 3.35 Favored Pre-proline 0 CA--C 1.541 0.6 0 N-CA-C 111.874 0.324 . . . . 0.0 111.874 179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.652 ' O ' HD22 ' A' ' 129' ' ' LEU . 42.3 Cg_exo -56.64 -36.8 98.41 Favored 'Trans proline' 0 N--CA 1.49 1.321 0 C-N-CA 122.515 2.143 . . . . 0.0 111.781 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -65.66 -39.93 91.89 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.721 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 98' ' ' VAL . 53.1 mt -64.91 -34.64 78.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.165 -179.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 97' ' ' LEU . 59.0 t -31.16 94.02 0.06 OUTLIER Pre-proline 0 N--CA 1.473 0.677 0 O-C-N 123.478 0.486 . . . . 0.0 111.059 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.429 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.9 Cg_exo -55.67 126.89 23.97 Favored 'Trans proline' 0 N--CA 1.493 1.449 0 C-N-CA 121.694 1.596 . . . . 0.0 112.124 -179.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.02 -34.63 73.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.528 -0.76 . . . . 0.0 109.562 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.96 -39.6 97.23 Favored Glycine 0 CA--C 1.527 0.792 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 59.4 tp -61.79 -49.0 78.12 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 121.101 0.477 . . . . 0.0 109.856 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.64 -38.11 89.87 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.414 179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -51.66 -49.77 61.68 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.615 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.31 -42.15 98.98 Favored 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 120.851 0.357 . . . . 0.0 110.656 179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 89.6 mt -64.97 -42.73 95.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.26 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -55.63 -45.34 77.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.021 -0.536 . . . . 0.0 109.883 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.54 -40.77 97.9 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 27.8 t-80 -58.1 -47.47 83.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.813 0.339 . . . . 0.0 110.934 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 22.8 mt -65.24 -40.58 94.22 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.175 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.14 71.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.261 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.54 -37.92 94.1 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 95.0 mt -75.79 -23.86 55.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.351 . . . . 0.0 110.124 179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.67 5.65 77.97 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 21.7 mt -75.77 81.22 2.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.154 0.502 . . . . 0.0 109.989 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -58.32 -30.75 66.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.445 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 68.0 mtm180 -54.21 -51.94 62.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.442 -179.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 58.3 mt -63.81 -38.45 91.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.843 0.354 . . . . 0.0 110.077 179.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.3 t -61.67 -42.43 94.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.156 179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -57.81 -47.39 82.73 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.947 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.7 mp -63.43 -42.66 98.7 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.386 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.5 tt -63.87 -41.89 97.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.331 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 62.9 ttt-85 -62.42 -40.61 97.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.898 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.93 -43.3 98.83 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.645 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 3.8 mp -60.03 -42.83 95.23 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.785 -0.366 . . . . 0.0 110.111 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -55.76 -51.35 67.68 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.93 0.395 . . . . 0.0 110.641 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.94 -43.35 96.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.177 0.513 . . . . 0.0 109.778 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -39.52 86.58 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.932 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.652 HD22 ' O ' ' A' ' 95' ' ' PRO . 32.8 mt -61.4 -38.36 86.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.164 179.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.2 -44.35 98.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 C-N-CA 120.359 -0.536 . . . . 0.0 109.781 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -63.43 -45.38 98.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.393 -0.523 . . . . 0.0 110.362 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 4.7 t -67.27 -43.06 82.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.912 0.386 . . . . 0.0 110.746 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 61.6 ttt180 -65.15 -40.63 94.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.392 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.92 -24.24 49.0 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.4 m -53.28 -31.84 45.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.752 0.311 . . . . 0.0 110.379 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.4 -46.91 88.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.388 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.47 ' CE1' HD13 ' A' ' 36' ' ' LEU . 82.1 t80 -62.71 -47.21 84.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.386 179.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 8.7 mp -61.76 -41.81 98.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.248 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.7 m -60.22 -40.91 91.83 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.509 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.56 -51.28 70.55 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.389 -179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.456 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -63.8 -44.07 98.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.059 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.68 -50.49 68.1 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.361 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -66.49 -43.13 86.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.93 99.45 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.901 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -63.58 -37.58 87.85 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.419 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 58.0 m-20 -64.17 -34.33 77.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.277 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -80.98 -37.14 29.77 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.231 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 72.0 mt -74.73 -58.75 3.09 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.772 -179.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 11.1 t 45.22 80.02 0.31 Allowed Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.811 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.4 ' O ' ' CB ' ' A' ' 151' ' ' ARG . 61.1 Cg_endo -75.3 -162.46 0.15 Allowed 'Trans proline' 0 C--N 1.309 -1.523 0 C-N-CA 121.81 1.673 . . . . 0.0 111.665 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' CB ' ' O ' ' A' ' 150' ' ' PRO . 20.5 ttm180 . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 117.923 -1.037 . . . . 0.0 110.305 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.79 148.25 40.51 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.588 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.48 129.08 48.96 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.492 -1.043 . . . . 0.0 110.492 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD23 ' N ' ' A' ' 9' ' ' SER . 1.3 tt -139.78 121.42 15.28 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.917 0.389 . . . . 0.0 110.326 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.526 ' N ' HD23 ' A' ' 8' ' ' LEU . 3.0 p 75.03 97.65 0.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.349 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -146.21 128.15 15.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.413 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 41.0 tp -166.88 -55.36 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.609 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.26 -17.87 55.0 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 -179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -65.93 -35.41 90.7 Favored Glycine 0 CA--C 1.526 0.732 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 26.2 ttm180 -60.23 -45.82 91.89 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.99 0.424 . . . . 0.0 110.598 -179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.32 -40.53 87.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.273 -179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -57.46 -46.05 84.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.594 -178.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -64.71 -51.98 59.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.818 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' A' ' 22' ' ' MET . 81.6 mt -64.12 -49.28 82.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.57 -0.452 . . . . 0.0 110.839 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -50.09 -46.88 42.09 Favored Glycine 0 CA--C 1.521 0.429 0 N-CA-C 111.373 -0.691 . . . . 0.0 111.373 -179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -72.22 -37.19 69.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.878 0.37 . . . . 0.0 110.616 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.512 ' O ' HG12 ' A' ' 21' ' ' VAL . 54.1 t -82.64 -7.05 10.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.883 -179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.554 ' N ' ' O ' ' A' ' 18' ' ' ILE . 12.1 tpt -89.11 -16.95 30.25 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 121.042 0.449 . . . . 0.0 110.501 -179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -113.0 -22.9 10.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.835 0.35 . . . . 0.0 110.484 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.649 ' O ' HG12 ' A' ' 27' ' ' VAL . 14.6 t-80 -47.12 133.72 9.07 Favored Pre-proline 0 CA--C 1.539 0.554 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.337 -179.355 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_exo -41.22 -27.13 0.36 Allowed 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.353 2.035 . . . . 0.0 112.547 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 34.4 mt -66.8 -34.49 77.93 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.173 -179.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.649 HG12 ' O ' ' A' ' 24' ' ' HIS . 5.0 p -60.83 -34.29 58.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.762 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -72.38 -54.69 8.7 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.427 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.462 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.0 mp -63.64 -40.28 96.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.458 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -57.73 -56.5 24.78 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.161 -0.775 . . . . 0.0 111.161 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 71.6 t -66.76 -46.84 84.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.904 0.383 . . . . 0.0 110.82 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.8 m -61.8 -48.1 82.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.859 -179.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.428 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 74.1 t80 -61.25 -44.17 97.68 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.653 -179.733 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.27 -32.28 71.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.607 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.78 -43.5 79.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.083 -179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 9.3 mp -61.61 -47.23 86.39 Favored 'General case' 0 C--O 1.233 0.196 0 C-N-CA 120.449 -0.5 . . . . 0.0 110.941 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.825 ' O ' HG23 ' A' ' 41' ' ' VAL . 4.3 mm? -66.26 -41.09 90.41 Favored 'General case' 0 C--N 1.321 -0.662 0 C-N-CA 120.597 -0.441 . . . . 0.0 110.632 179.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 92.6 p -56.97 -41.82 79.04 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.762 -178.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 43' ' ' VAL . 49.4 t -64.07 -48.92 83.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.644 -0.422 . . . . 0.0 111.179 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.1 mm -62.65 -42.02 94.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.616 -178.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.825 HG23 ' O ' ' A' ' 37' ' ' LEU . 90.6 t -56.53 -43.69 78.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.168 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 69.0 t -60.55 -44.17 96.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.444 HG23 ' O ' ' A' ' 39' ' ' VAL . 45.1 t -60.61 -43.48 94.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.292 -178.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.7 t -52.75 -46.35 50.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 121.0 -0.28 . . . . 0.0 110.27 -179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.427 ' OE1' ' NH1' ' A' ' 126' ' ' ARG . 1.6 tm-20 -65.53 -38.1 88.66 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.376 -0.53 . . . . 0.0 110.527 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -70.1 -43.9 70.12 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -79.91 -63.9 1.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.947 -178.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 29.7 mtp -89.95 137.04 32.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.934 -178.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -99.13 63.52 1.33 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.098 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 75.1 mt -42.64 155.06 0.05 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.43 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.402 ' O ' ' N ' ' A' ' 55' ' ' LEU . 75.4 m -65.83 158.68 27.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.521 -179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -46.95 -51.18 13.87 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.339 -0.705 . . . . 0.0 111.339 -179.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 75.4 tt0 -52.06 -53.54 40.92 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.625 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.24 -29.59 68.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.15 179.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -62.09 -44.59 96.33 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.965 -179.198 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.8 -44.75 98.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.127 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -58.09 -44.21 87.47 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.551 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.18 -42.15 99.0 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.817 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -60.01 -41.96 93.29 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.368 179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.1 tp -64.06 -44.31 92.81 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.496 -178.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 71.4 t -63.85 -45.19 97.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.212 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -60.92 -38.15 84.79 Favored 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.038 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.429 ' O ' HG12 ' A' ' 67' ' ' ILE . 49.1 tp -60.87 -47.19 87.5 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.323 -179.605 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 32.2 mm -55.61 -43.68 73.88 Favored 'Isoleucine or valine' 0 C--O 1.238 0.475 0 CA-C-O 120.912 0.387 . . . . 0.0 110.679 -178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 42.0 mt -62.22 -40.1 95.0 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.237 0.542 . . . . 0.0 109.857 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 53.1 t -63.94 -40.01 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.218 179.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.518 ' HA ' ' NE1' ' A' ' 70' ' ' TRP . 36.8 mm -53.51 -51.21 44.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 -178.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 54.1 mt -67.78 -27.54 38.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.789 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.476 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.5 mt -62.07 -68.75 0.3 Allowed 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.32 -0.552 . . . . 0.0 111.606 -178.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.682 ' HB3' HD13 ' A' ' 97' ' ' LEU . 44.4 p-90 -64.89 -22.06 66.93 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.71 -178.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -46.7 -40.86 14.08 Favored 'General case' 0 C--O 1.237 0.396 0 C-N-CA 120.373 -0.531 . . . . 0.0 109.871 -179.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 -73.92 -36.83 64.72 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.013 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 82.1 t80 -57.36 -48.46 78.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.764 -179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.27 -42.89 99.74 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.363 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 38.2 t80 -62.3 -44.58 96.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.431 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -64.93 -37.67 88.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.445 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.72 -49.62 72.54 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.088 0.471 . . . . 0.0 110.693 -179.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -62.72 -38.4 90.31 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.638 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -59.53 -41.52 90.23 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.513 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 15.2 m -60.55 -39.57 88.45 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 120.935 0.398 . . . . 0.0 110.654 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 88.04 0.31 83.31 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -139.35 77.52 29.43 Favored Pre-proline 0 C--N 1.329 -0.311 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.732 ' O ' HG23 ' A' ' 87' ' ' VAL . 50.8 Cg_exo -53.38 -48.69 20.64 Favored 'Trans proline' 0 C--N 1.307 -1.641 0 C-N-CA 122.609 2.206 . . . . 0.0 112.358 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -47.55 85.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -70.1 -36.28 71.86 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.139 -0.785 . . . . 0.0 111.139 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.448 ' O ' ' CD1' ' A' ' 86' ' ' TYR . 32.8 t80 -77.37 -22.45 51.68 Favored 'General case' 0 C--O 1.224 -0.283 0 C-N-CA 121.301 -0.16 . . . . 0.0 110.593 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 83' ' ' PRO . 21.7 t -78.3 -51.16 18.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 C-N-CA 120.839 -0.344 . . . . 0.0 111.181 -179.476 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -54.53 -18.28 4.17 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.558 -178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -88.38 -10.81 48.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.962 -179.122 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 11.0 p -130.59 39.94 3.56 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.442 . . . . 0.0 111.022 -178.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.33 -20.23 63.01 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.469 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -94.34 2.54 55.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.789 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -107.42 -36.67 6.43 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.957 0.408 . . . . 0.0 110.615 179.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.6 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 70.4 mt -60.99 -39.98 70.01 Favored Pre-proline 0 CA--C 1.533 0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.987 179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.6 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 45.1 Cg_exo -55.94 -27.84 65.49 Favored 'Trans proline' 0 N--CA 1.491 1.364 0 C-N-CA 122.439 2.093 . . . . 0.0 111.784 -179.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.516 ' O ' ' NH2' ' A' ' 133' ' ' ARG . . . -74.59 -39.13 62.4 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.04 0.448 . . . . 0.0 111.135 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.682 HD13 ' HB3' ' A' ' 70' ' ' TRP . 63.9 mt -64.25 -37.57 87.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.726 -179.589 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.458 ' C ' ' O ' ' A' ' 97' ' ' LEU . 60.0 t -31.0 95.24 0.07 OUTLIER Pre-proline 0 N--CA 1.468 0.465 0 O-C-N 123.765 0.666 . . . . 0.0 110.704 -179.248 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . 0.431 ' N ' ' O ' ' A' ' 97' ' ' LEU . 31.8 Cg_exo -55.52 148.08 55.01 Favored 'Trans proline' 0 N--CA 1.493 1.497 0 C-N-CA 122.527 2.151 . . . . 0.0 112.02 -179.113 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -56.43 -23.16 36.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.3 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.54 -47.37 51.87 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.543 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.1 mm? -64.58 -43.71 92.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.035 0.445 . . . . 0.0 110.801 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 64.5 mt -65.47 -36.59 84.33 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.512 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -58.11 -52.38 65.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.797 -179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 10.7 mp -64.11 -44.03 93.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.873 179.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.17 -45.02 97.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 121.173 0.511 . . . . 0.0 110.289 -179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -66.5 -38.6 87.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.33 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.29 -40.45 99.01 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.458 ' CE1' HD11 ' A' ' 113' ' ' LEU . 54.2 t-80 -59.43 -46.78 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.883 0.373 . . . . 0.0 110.411 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 95.8 mt -63.64 -43.44 96.77 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.639 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.51 -36.76 81.7 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.701 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.52 -38.63 93.89 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.458 HD11 ' CE1' ' A' ' 109' ' ' HIS . 16.2 mt -78.42 -13.49 59.81 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.778 0.323 . . . . 0.0 110.73 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.26 26.59 43.27 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 75.6 mt -96.32 76.37 2.97 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.389 0.614 . . . . 0.0 110.399 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -62.94 -29.08 70.51 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.511 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -56.86 -46.5 81.74 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.466 -179.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 83.6 mt -68.89 -37.15 78.83 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.096 0.474 . . . . 0.0 110.362 179.333 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -54.36 -34.08 27.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.491 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 30.8 mtm180 -61.38 -40.88 95.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.922 0.392 . . . . 0.0 110.457 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.514 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.82 -39.01 92.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.737 179.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -62.36 -43.52 98.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.707 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 37.3 ttm180 -62.97 -40.75 98.67 Favored 'General case' 0 C--N 1.315 -0.924 0 CA-C-O 121.494 0.664 . . . . 0.0 110.398 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -58.1 -42.31 85.38 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.464 -179.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.533 HD13 ' O ' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -61.03 -41.42 96.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.65 -0.704 . . . . 0.0 110.419 -178.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.427 ' NH1' ' OE1' ' A' ' 45' ' ' GLU . 38.6 ttm180 -54.58 -40.9 69.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.051 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 91.4 mt -62.34 -43.85 98.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.024 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 9.4 mp -63.38 -34.54 77.96 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.153 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.04 -40.64 90.07 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.159 -179.683 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 88.3 mt -63.04 -43.23 98.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 109.815 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 91.9 mt -61.65 -43.7 97.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.291 -179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.1 m -59.11 -47.64 84.52 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-O 121.082 0.467 . . . . 0.0 110.126 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.516 ' NH2' ' O ' ' A' ' 96' ' ' ALA . 40.9 ttm180 -70.53 -43.22 70.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.164 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -62.6 -39.35 97.77 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 89.2 p -59.77 -38.68 82.51 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -61.9 -50.22 73.04 Favored 'General case' 0 C--N 1.332 -0.171 0 C-N-CA 120.412 -0.515 . . . . 0.0 110.566 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.82 -47.75 82.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.992 0.425 . . . . 0.0 110.289 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . 0.421 ' O ' ' CB ' ' A' ' 142' ' ' ALA . 11.5 mt -62.12 -41.1 97.9 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.378 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 67.8 m -57.99 -44.13 87.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.584 -179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -58.9 -58.33 9.09 Favored 'General case' 0 C--O 1.237 0.434 0 CA-C-O 121.101 0.476 . . . . 0.0 110.824 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.549 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -65.48 -44.01 94.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.556 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.421 ' CB ' ' O ' ' A' ' 138' ' ' LEU . . . -55.64 -40.78 72.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.478 -178.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -61.54 -48.83 79.23 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.442 -0.344 . . . . 0.0 110.58 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.35 -45.11 94.67 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.473 -0.491 . . . . 0.0 110.946 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.554 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -69.11 -40.15 78.53 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.49 179.569 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -69.55 -43.66 72.5 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.673 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -69.24 -41.98 76.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.943 -179.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 33.4 mt -96.03 -6.11 39.5 Favored 'General case' 0 CA--C 1.507 -0.711 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.936 -178.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.554 ' N ' ' O ' ' A' ' 145' ' ' ALA . 0.5 OUTLIER 76.55 133.61 0.04 OUTLIER Pre-proline 0 C--N 1.314 -0.96 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.781 -179.728 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -50.53 139.19 38.58 Favored 'Trans proline' 0 N--CA 1.492 1.436 0 C-N-CA 121.943 1.762 . . . . 0.0 112.029 176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 35.8 mmt180 . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.5 179.595 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.1 mt . . . . . 0 N--CA 1.488 1.471 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.2 ttt85 -147.48 168.15 22.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.932 0.396 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -59.46 -44.17 96.9 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.0 mt -102.82 130.82 49.95 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.733 0.302 . . . . 0.0 110.297 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.0 p -152.45 31.66 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.589 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.2 t0 43.41 89.01 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.762 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.579 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -71.48 -83.2 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.988 -179.513 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 85.23 -27.32 5.13 Favored Glycine 0 CA--C 1.526 0.78 0 N-CA-C 110.735 -0.946 . . . . 0.0 110.735 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.9 -39.16 97.07 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -62.32 -36.21 81.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.645 0.259 . . . . 0.0 110.461 179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.7 t -65.45 -44.86 94.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.165 -179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.52 ' C ' ' H ' ' A' ' 18' ' ' ILE . 68.9 mtp85 -72.32 154.56 40.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.784 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 71.42 -21.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.647 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.52 ' H ' ' C ' ' A' ' 16' ' ' ARG . 1.8 tp -67.55 -38.27 80.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.039 0.447 . . . . 0.0 110.365 -178.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.41 -48.32 65.16 Favored Glycine 0 CA--C 1.518 0.239 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -177.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -80.07 -42.03 24.47 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.942 0.401 . . . . 0.0 110.975 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 21' ' ' VAL . 47.5 t -67.53 -9.85 11.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.657 -179.395 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.481 ' O ' HG11 ' A' ' 27' ' ' VAL . 2.6 mmt -79.51 -4.4 51.16 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.532 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 71.1 mt-10 -121.73 -5.3 9.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.453 178.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.581 ' O ' HG12 ' A' ' 27' ' ' VAL . 4.6 t-80 -46.09 134.16 7.04 Favored Pre-proline 0 CA--C 1.545 0.785 0 C-N-CA 120.39 -0.524 . . . . 0.0 110.724 -178.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -41.28 -31.4 0.95 Allowed 'Trans proline' 0 C--N 1.308 -1.58 0 C-N-CA 121.813 1.675 . . . . 0.0 112.542 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 14.9 mt -66.31 -41.78 89.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.911 0.386 . . . . 0.0 110.943 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.581 HG12 ' O ' ' A' ' 24' ' ' HIS . 1.5 p -68.34 -35.57 71.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.737 -179.56 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -65.78 -46.11 79.95 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.304 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -66.26 -46.35 77.37 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.94 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.31 -50.15 69.94 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.69 -44.98 99.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.9 0.381 . . . . 0.0 110.086 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 48.8 m -61.86 -40.13 94.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.595 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -60.07 -43.5 95.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.148 -179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.55 94.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.737 -179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -64.03 -41.65 97.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.596 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 36.6 tp -64.08 -41.21 97.4 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.533 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.494 HD13 ' O ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -62.95 -40.55 98.01 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.183 0.516 . . . . 0.0 110.292 -178.011 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 38.4 t -69.87 -32.86 71.45 Favored 'General case' 0 C--N 1.318 -0.787 0 C-N-CA 120.575 -0.45 . . . . 0.0 110.663 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 35' ' ' ALA . 17.1 t -60.34 -53.92 42.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.413 -179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 44' ' ' VAL . 10.5 tp -64.39 -39.73 86.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 C-N-CA 120.442 -0.503 . . . . 0.0 110.188 -178.211 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 37' ' ' LEU . 44.8 t -58.98 -44.07 90.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.609 -179.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.5 t -59.69 -48.09 88.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.705 -179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' THR . 87.3 t -68.39 -36.21 73.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.821 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 40' ' ' ILE . 38.1 t -60.76 -32.96 53.3 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.248 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.651 -179.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -59.79 -54.94 40.4 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -69.1 -56.35 7.98 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.729 -0.388 . . . . 0.0 111.905 -178.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.525 HG22 ' O ' ' A' ' 43' ' ' VAL . 14.8 t -55.04 -42.09 72.22 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.631 -178.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.502 ' N ' HG23 ' A' ' 47' ' ' THR . 49.6 mtt -132.01 128.25 37.95 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.232 0.539 . . . . 0.0 110.883 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.455 ' O ' ' O ' ' A' ' 50' ' ' LEU . 15.4 pt20 -95.48 -3.63 46.43 Favored 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.957 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.455 ' O ' ' O ' ' A' ' 49' ' ' GLN . 57.1 mt 46.4 -179.21 0.01 OUTLIER 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.504 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 13.6 p -88.06 163.11 16.42 Favored 'General case' 0 C--O 1.223 -0.308 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.475 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.64 -42.68 58.76 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.329 -0.708 . . . . 0.0 111.329 -179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 40.0 tp10 -62.32 -54.42 40.84 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.162 0.506 . . . . 0.0 110.496 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 26.0 m-85 -65.67 -32.41 73.96 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.483 179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 6.9 tp -61.3 -43.5 98.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.333 -179.173 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 56.1 t -62.42 -45.3 99.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.244 -0.435 . . . . 0.0 109.97 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -61.16 -43.41 98.92 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 0.0 110.735 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.34 -41.16 93.02 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.708 -179.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -61.37 -42.46 98.74 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.071 -179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tp -62.28 -43.99 97.56 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.941 -179.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -29.5 46.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.782 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -69.82 -41.5 74.89 Favored 'General case' 0 C--N 1.318 -0.775 0 C-N-CA 120.172 -0.611 . . . . 0.0 110.475 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 95.5 mt -62.75 -52.02 64.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.433 -179.128 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG21 HD13 ' A' ' 64' ' ' ILE . 9.1 tt -58.9 -34.24 52.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.973 0.416 . . . . 0.0 110.293 -179.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.96 -41.97 97.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.48 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 95.1 t -62.37 -40.42 87.86 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.067 179.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 38.4 mm -56.89 -43.11 79.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.506 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.3 mt -61.22 -45.38 98.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.225 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.0 mt -66.3 -38.72 88.39 Favored 'General case' 0 C--O 1.238 0.479 0 CA-C-O 121.375 0.607 . . . . 0.0 110.589 179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.512 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.0 m0 -62.04 -26.42 68.24 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.659 -0.701 . . . . 0.0 110.292 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.09 -52.66 41.33 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.888 -179.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.8 t0 -73.39 -47.23 43.68 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.392 -179.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.49 ' OH ' HG22 ' A' ' 87' ' ' VAL . 85.5 t80 -63.84 -43.7 95.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.168 -179.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.444 ' CB ' ' O ' ' A' ' 70' ' ' TRP . . . -63.72 -40.75 97.52 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.299 -179.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 32.1 t80 -58.79 -55.19 38.27 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.906 -179.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 89.4 mtm180 -62.83 -33.31 74.97 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.378 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.45 -44.08 93.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.397 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -65.93 -35.51 80.81 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.184 179.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 2.7 tppp? -57.53 -43.54 84.41 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.288 -179.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 77.8 p -60.78 -22.43 64.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.381 -179.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 72.86 2.31 57.04 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.078 -0.809 . . . . 0.0 111.078 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -150.41 78.16 7.84 Favored Pre-proline 0 C--N 1.327 -0.397 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.405 ' O ' HG23 ' A' ' 87' ' ' VAL . 61.3 Cg_exo -49.45 -34.89 34.55 Favored 'Trans proline' 0 N--CA 1.493 1.498 0 C-N-CA 122.596 2.197 . . . . 0.0 111.957 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.34 -45.83 92.09 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.741 -0.383 . . . . 0.0 110.39 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.86 -44.89 66.51 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 16.4 t80 -58.87 -41.63 87.55 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.49 HG22 ' OH ' ' A' ' 73' ' ' TYR . 33.8 t -64.32 -48.37 85.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.921 -0.711 . . . . 0.0 111.041 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 20.3 mtmt -54.42 -19.11 5.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.879 -0.601 . . . . 0.0 109.526 -179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.2 tmmm? -92.28 -30.19 15.99 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.161 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.7 p -106.62 38.81 1.97 Allowed 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.839 -178.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.728 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -58.38 -20.26 42.58 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.988 -179.278 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.8 p90 -82.72 -14.47 54.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.594 -179.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -96.6 -35.21 11.14 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.662 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.641 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.6 mp -49.88 -53.81 38.77 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 178.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 7.2 Cg_endo -47.75 -27.2 7.83 Favored 'Trans proline' 0 C--N 1.313 -1.331 0 C-N-CA 122.583 2.189 . . . . 0.0 111.729 -178.726 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -84.04 -21.67 31.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.988 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.438 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 45.4 mt -95.0 -10.55 30.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.379 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.4 t -39.59 104.58 0.33 Allowed Pre-proline 0 CA--C 1.54 0.56 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.407 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -54.65 140.96 76.15 Favored 'Trans proline' 0 N--CA 1.493 1.473 0 C-N-CA 122.001 1.801 . . . . 0.0 112.03 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.03 -34.24 75.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.371 179.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -65.7 -35.6 91.24 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 57.7 tp -45.88 -63.15 1.04 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 122.391 -0.476 . . . . 0.0 111.514 -178.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 103' ' ' LEU . 0.1 OUTLIER -67.41 -34.63 77.64 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.447 -179.515 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.04 -51.34 64.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.637 -178.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 9.5 mp -63.93 -41.66 97.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.42 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 94.5 mt -62.97 -44.09 99.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 C-N-CA 120.493 -0.483 . . . . 0.0 110.417 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -67.61 -38.06 83.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.669 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.69 -42.82 99.81 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.199 -0.76 . . . . 0.0 111.199 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -62.33 -48.33 80.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.214 0.53 . . . . 0.0 110.609 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 93.9 mt -63.05 -41.1 99.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.324 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.18 88.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.645 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.87 -36.94 92.9 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.777 -0.929 . . . . 0.0 110.777 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 91.9 mt -70.11 -9.01 54.11 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.581 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 82.02 15.21 75.44 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.788 -0.925 . . . . 0.0 110.788 179.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 66.8 mt -101.05 109.89 21.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.942 0.401 . . . . 0.0 110.254 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -106.41 -5.18 19.15 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.24 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.554 HH21 ' HE ' ' A' ' 120' ' ' ARG . 1.0 OUTLIER -62.45 -55.31 28.89 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.579 -0.448 . . . . 0.0 110.986 -179.679 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 75.2 mt -62.05 -30.66 71.13 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.228 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 85.0 t -62.01 -39.5 83.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.577 179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.554 ' HE ' HH21 ' A' ' 117' ' ' ARG . 61.5 ttm-85 -58.09 -44.27 87.53 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 121.048 0.451 . . . . 0.0 110.424 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -62.35 -42.64 99.55 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.999 -179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 13.2 mt -61.54 -39.76 92.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.52 179.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.516 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 34.1 ttm180 -55.87 -44.39 78.07 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.811 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.69 -43.24 97.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.774 179.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 9.1 mp -61.16 -40.69 94.81 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.765 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.516 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.0 mtm180 -57.92 -48.9 78.53 Favored 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.204 -0.598 . . . . 0.0 110.536 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 63.8 mt -68.51 -43.09 84.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.861 179.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.467 ' O ' HG22 ' A' ' 131' ' ' ILE . 3.2 tp -57.16 -24.25 53.03 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.376 -178.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.7 tp -56.85 -25.11 55.77 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.712 -179.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 10.8 tp -53.28 -34.04 21.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.747 -179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . 0.551 HG23 ' N ' ' A' ' 132' ' ' SER . 13.5 tt -51.44 -43.87 31.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.426 -179.367 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . 0.551 ' N ' HG23 ' A' ' 131' ' ' ILE . 5.7 t -71.92 -45.75 60.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.961 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 25.0 mmt180 -61.95 -35.91 79.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.853 -179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.35 -32.47 81.03 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 59.8 p -60.16 -45.34 93.41 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.881 0.372 . . . . 0.0 110.838 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 63.7 mttm -64.12 -40.89 97.17 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.449 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.54 -49.77 76.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.749 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 95.9 mt -65.36 -40.14 93.2 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.026 0.441 . . . . 0.0 110.665 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.7 p -66.63 -43.52 84.46 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.224 -0.59 . . . . 0.0 110.943 -179.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.49 67.44 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.51 -179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 tp -62.63 -29.79 47.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.002 -179.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -66.04 -55.52 16.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.708 -178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -64.02 -41.83 97.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.8 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.4 ' O ' ' CB ' ' A' ' 148' ' ' LEU . . . -64.78 -46.1 83.53 Favored 'General case' 0 C--O 1.222 -0.358 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.767 -179.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -60.32 -35.02 74.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.603 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -61.82 -51.22 69.13 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.132 -179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -81.46 -37.36 28.11 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.175 179.698 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.4 ' CB ' ' O ' ' A' ' 144' ' ' ALA . 13.8 tp -66.54 -52.77 42.05 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.033 -178.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 149' ' ' VAL . 7.1 p -175.47 96.78 0.27 Allowed Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.115 -179.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -51.67 146.79 25.91 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.331 2.021 . . . . 0.0 112.169 179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.4 ' HD3' HH11 ' A' ' 151' ' ' ARG . 42.9 ttp180 . . . . . 0 C--O 1.221 -0.419 0 CA-C-O 118.041 -0.981 . . . . 0.0 110.469 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.4 mt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.0 mtt-85 -61.09 -24.56 66.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.67 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.72 -26.89 65.58 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.586 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.5 mm? -81.79 134.46 35.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.071 0.463 . . . . 0.0 110.564 -179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.8 t -70.76 11.6 0.36 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.425 179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.487 ' H ' ' C ' ' A' ' 8' ' ' LEU . 57.2 t0 -54.49 -39.46 67.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.109 -179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.434 ' HG ' ' H ' ' A' ' 13' ' ' GLY . 34.4 tp -52.46 -70.63 0.08 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.108 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 39.6 33.71 0.39 Allowed Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.388 -0.685 . . . . 0.0 111.388 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' H ' ' HG ' ' A' ' 11' ' ' LEU . . . -110.74 -53.75 0.55 Allowed Glycine 0 N--CA 1.467 0.723 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -68.02 -20.25 64.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.827 0.346 . . . . 0.0 110.964 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.48 ' O ' HG22 ' A' ' 18' ' ' ILE . 48.8 t -60.08 -25.56 33.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.731 -179.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -63.97 -36.75 85.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.895 0.379 . . . . 0.0 110.11 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' O ' ' OD1' ' A' ' 20' ' ' ASP . 77.5 m-20 -63.09 -31.12 72.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.724 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.48 HG22 ' O ' ' A' ' 15' ' ' VAL . 3.6 tp -52.02 -27.31 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.403 -179.504 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.88 -55.67 15.94 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.018 -0.61 . . . . 0.0 112.59 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.469 ' OD1' ' O ' ' A' ' 17' ' ' ASN . 38.2 p-10 -86.21 -4.77 59.24 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.794 0.297 . . . . 0.0 111.221 -179.096 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' HIS . 37.2 t -95.84 -49.44 12.26 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.48 0 CA-C-O 120.829 0.347 . . . . 0.0 110.408 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' A' ' 22' ' ' MET . 4.1 ppp? -55.78 -29.76 60.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -101.62 15.53 28.62 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.662 ' NE2' HG23 ' A' ' 27' ' ' VAL . 0.2 OUTLIER -43.92 151.45 0.51 Allowed Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.157 178.933 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -38.28 -28.72 0.13 Allowed 'Trans proline' 0 C--N 1.313 -1.319 0 C-N-CA 122.241 1.961 . . . . 0.0 112.602 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -61.53 -49.61 76.02 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.074 -179.136 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.662 HG23 ' NE2' ' A' ' 24' ' ' HIS . 56.1 t -79.74 -43.69 23.06 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.174 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.03 179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 64.8 tt0 -47.64 -37.19 12.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.646 -178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 20.4 mt -61.81 -45.17 95.0 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.592 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -69.27 -47.92 49.06 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.116 -0.793 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.0 t -64.41 -44.27 97.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.808 0.337 . . . . 0.0 110.574 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -61.94 -40.17 94.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.61 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.7 t80 -61.53 -48.27 81.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.303 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -39.35 93.67 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.729 -0.389 . . . . 0.0 110.713 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -59.74 -49.83 76.19 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.897 0.379 . . . . 0.0 110.949 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.09 -44.79 94.75 Favored 'General case' 0 C--O 1.22 -0.475 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.893 -179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 ' O ' HG23 ' A' ' 41' ' ' VAL . 3.8 mm? -66.8 -39.53 87.77 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.515 -0.474 . . . . 0.0 110.916 179.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.559 ' O ' HG23 ' A' ' 42' ' ' VAL . 10.7 t -52.45 -59.84 3.95 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.527 -0.469 . . . . 0.0 111.639 -178.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.499 HG13 ' N ' ' A' ' 40' ' ' ILE . 9.8 p -63.33 -42.66 97.18 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.399 0 CA-C-O 120.941 0.4 . . . . 0.0 111.321 -179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.499 ' N ' HG13 ' A' ' 39' ' ' VAL . 28.0 mm -62.36 -40.89 89.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.647 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.54 HG23 ' O ' ' A' ' 37' ' ' LEU . 18.5 t -58.32 -44.92 89.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.923 -0.311 . . . . 0.0 110.387 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.559 HG23 ' O ' ' A' ' 38' ' ' SER . 12.0 t -58.15 -45.98 88.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.206 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.567 ' O ' HG22 ' A' ' 47' ' ' THR . 90.0 t -67.0 -44.87 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.565 -0.454 . . . . 0.0 110.814 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.463 ' O ' ' O ' ' A' ' 48' ' ' MET . 24.3 t -49.89 -31.29 6.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.444 -179.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -60.14 -54.89 40.48 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 -178.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.467 ' CE1' ' CZ ' ' A' ' 126' ' ' ARG . 1.6 m-85 -73.79 -56.68 4.68 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -177.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' VAL . 9.7 t -50.59 -45.46 57.38 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.695 -178.654 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.546 ' N ' HG23 ' A' ' 47' ' ' THR . 69.8 mtm -130.97 150.2 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.674 179.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.624 ' O ' HD23 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -107.1 10.13 30.24 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.411 179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 67.9 mt 39.35 -165.47 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.761 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 59.5 p -93.2 163.1 13.75 Favored 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 110.119 -0.326 . . . . 0.0 110.119 179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.09 -49.68 58.36 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.664 -0.575 . . . . 0.0 111.664 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -58.8 -46.69 87.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.968 0.413 . . . . 0.0 110.488 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -68.9 -29.49 67.78 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.136 179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 49' ' ' GLN . 0.2 OUTLIER -58.14 -51.17 70.84 Favored 'General case' 0 C--O 1.238 0.464 0 CA-C-O 121.108 0.48 . . . . 0.0 110.165 -178.111 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 69.1 t -65.92 -42.13 91.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.725 -0.67 . . . . 0.0 109.699 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 2.1 tpp180 -60.74 -37.74 82.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.738 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.6 tp -59.38 -45.9 90.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.055 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -63.63 -36.95 85.5 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.318 -0.553 . . . . 0.0 110.17 179.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 33.8 tp -65.59 -46.37 79.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.663 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 65' ' ' LEU . 55.4 t -59.4 -47.62 90.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 C-N-CA 120.541 -0.464 . . . . 0.0 110.57 -178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.509 ' O ' HG23 ' A' ' 66' ' ' VAL . 9.9 t70 -43.83 -35.76 2.06 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.088 -179.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 44.2 tp -62.29 -43.81 97.97 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.408 -0.517 . . . . 0.0 110.939 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mp -64.66 -44.65 96.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.387 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 61' ' ' VAL . 10.5 mp -59.15 -39.9 83.87 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.382 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 62' ' ' ASP . 96.5 t -63.54 -42.03 94.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.806 179.792 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 90.2 mt -60.66 -43.2 94.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 C-N-CA 120.964 -0.294 . . . . 0.0 110.939 -179.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.6 mp -59.19 -45.55 92.74 Favored 'Isoleucine or valine' 0 C--O 1.238 0.456 0 CA-C-O 121.214 0.531 . . . . 0.0 109.639 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.8 mt -62.56 -39.57 94.1 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.524 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.506 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 20.8 m0 -57.68 -40.74 80.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.644 -179.542 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.19 -52.19 66.3 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.616 -0.434 . . . . 0.0 110.446 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 52.8 t0 -64.96 -44.1 90.48 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.716 -179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.96 -46.37 91.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.015 179.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.37 -42.45 92.74 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.533 -178.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -59.28 -45.67 90.62 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.009 0.433 . . . . 0.0 110.348 -179.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 10.3 tpt180 -64.95 -37.32 87.25 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.506 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.93 -55.89 25.66 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.83 -179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -61.76 -34.68 76.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.783 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 27.7 tptp -57.57 -37.48 73.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.687 -179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.537 ' OG ' ' CD1' ' A' ' 86' ' ' TYR . 66.9 m -69.36 -16.22 63.48 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.558 -0.457 . . . . 0.0 110.935 -179.594 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.65 4.67 76.44 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -147.49 78.79 9.91 Favored Pre-proline 0 C--N 1.328 -0.343 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.665 ' O ' HG23 ' A' ' 87' ' ' VAL . 46.9 Cg_exo -53.51 -49.56 16.93 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.386 2.057 . . . . 0.0 112.539 -179.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.06 83.4 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.408 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -64.99 -42.11 96.96 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.089 -0.804 . . . . 0.0 111.089 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.537 ' CD1' ' OG ' ' A' ' 80' ' ' SER . 11.8 t80 -66.13 -38.22 87.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.896 0.379 . . . . 0.0 110.581 -179.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.665 HG23 ' O ' ' A' ' 83' ' ' PRO . 39.2 t -60.15 -44.74 95.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.755 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 86.1 mttt -56.01 -18.69 10.08 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.737 -179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.4 ttpt -83.39 -30.13 27.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.254 -179.577 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.492 ' O ' ' OG1' ' A' ' 90' ' ' THR . 0.0 OUTLIER -102.57 32.53 3.56 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 111.087 -178.08 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 61.9 mt -62.33 -29.18 70.27 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.747 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.9 p90 -86.11 -2.54 58.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.149 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -106.01 -22.11 12.97 Favored 'General case' 0 N--CA 1.47 0.562 0 N-CA-C 110.208 -0.293 . . . . 0.0 110.208 179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.573 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 28.7 mm -57.18 -37.7 60.32 Favored Pre-proline 0 C--N 1.338 0.087 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.208 179.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.573 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 51.3 Cg_exo -55.16 -36.71 93.77 Favored 'Trans proline' 0 N--CA 1.491 1.352 0 C-N-CA 121.631 1.554 . . . . 0.0 112.285 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -68.69 -37.39 79.51 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.99 0.424 . . . . 0.0 110.565 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 25.3 mt -67.29 -37.41 83.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.548 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 78.7 t -36.01 108.08 0.37 Allowed Pre-proline 0 CA--C 1.54 0.596 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.212 -179.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -49.84 118.3 3.72 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.769 1.646 . . . . 0.0 112.432 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -60.98 -36.07 78.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.231 179.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -60.95 -35.61 90.82 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 64.7 tp -64.02 -50.67 67.56 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.144 0.497 . . . . 0.0 110.387 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.524 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.0 mm? -66.02 -37.98 87.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.565 -179.752 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.31 -47.23 72.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.599 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 54.4 mt -63.24 -43.57 97.68 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.497 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.6 mt -63.42 -43.8 98.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 CA-C-O 121.093 0.473 . . . . 0.0 110.237 179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 60.1 mm-40 -61.41 -37.44 83.46 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.33 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -60.07 -43.06 98.63 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.649 -0.98 . . . . 0.0 110.649 179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 12.1 t-80 -59.19 -45.24 91.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.041 0.448 . . . . 0.0 110.627 179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 51.4 mt -62.07 -42.72 99.49 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.572 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.77 -38.31 90.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.854 0.359 . . . . 0.0 110.255 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.96 -34.42 87.63 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.743 -0.943 . . . . 0.0 110.743 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 94.2 mt -74.48 -13.05 60.64 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.741 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 93.45 6.64 62.51 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 88.5 mt -79.76 139.46 37.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 0.0 110.344 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -127.73 -10.81 5.55 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.711 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.68 -48.34 79.74 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.813 0.34 . . . . 0.0 110.583 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.562 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -63.84 -37.76 88.57 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.715 -0.394 . . . . 0.0 110.157 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 50.4 t -61.5 -43.12 96.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.646 -179.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 76.9 mtp85 -59.7 -44.44 93.68 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.657 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 7.8 mp -63.86 -38.55 91.51 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.6 tp -58.96 -42.55 90.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.14 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.447 ' O ' ' HG2' ' A' ' 126' ' ' ARG . 98.9 mtt180 -62.59 -42.14 99.39 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-O 121.355 0.598 . . . . 0.0 110.644 179.623 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -70.33 -42.99 71.18 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.664 -0.415 . . . . 0.0 110.058 178.485 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.8 -46.61 89.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.668 -178.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.467 ' CZ ' ' CE1' ' A' ' 46' ' ' TYR . 33.9 ptt180 -63.92 -33.9 76.74 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.903 -179.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.9 -44.43 97.84 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 110.0 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 128' ' ' LEU . 4.2 mm? -69.69 -31.82 70.08 Favored 'General case' 0 C--N 1.318 -0.77 0 C-N-CA 120.444 -0.502 . . . . 0.0 109.681 178.646 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 3.5 tt -62.83 -46.59 87.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.52 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 15.8 pt -63.71 -38.1 81.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 120.987 -0.285 . . . . 0.0 110.812 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 87.2 mt -61.16 -43.93 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.924 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 71.4 m -60.47 -43.25 97.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.87 0.367 . . . . 0.0 110.662 179.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 51.6 ttt85 -66.86 -23.35 66.01 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.439 0.638 . . . . 0.0 110.274 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -54.21 -24.38 28.9 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.104 -0.799 . . . . 0.0 111.104 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 70.5 m -59.98 -47.04 87.45 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -178.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -73.98 -27.73 61.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.036 -179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -59.32 -70.0 0.18 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.397 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 2.8 pp -53.1 -38.0 62.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.587 -179.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 24.4 t -59.46 -41.07 88.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.037 -0.665 . . . . 0.0 110.46 -179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -61.25 -48.03 83.34 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.268 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.515 HD12 ' N ' ' A' ' 141' ' ' ILE . 1.5 mp -64.1 -44.52 97.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.145 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.25 -50.38 67.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.644 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -65.02 -41.03 95.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.677 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.16 -45.13 94.77 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.754 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -58.07 -40.02 79.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.862 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -60.63 -46.64 89.51 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.342 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -78.76 -28.9 44.83 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.741 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 43.7 tp -61.5 -47.62 84.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.44 -178.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.557 ' O ' HG22 ' A' ' 149' ' ' VAL . 2.1 p -127.24 79.97 72.34 Favored Pre-proline 0 N--CA 1.467 0.401 0 CA-C-O 121.081 0.467 . . . . 0.0 110.752 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -53.75 -39.35 84.04 Favored 'Trans proline' 0 C--N 1.308 -1.57 0 C-N-CA 122.307 2.005 . . . . 0.0 111.831 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 118.028 -0.987 . . . . 0.0 110.928 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.594 HD22 ' N ' ' A' ' 5' ' ' LEU . 3.9 mm? . . . . . 0 N--CA 1.493 1.677 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.406 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.5 OUTLIER -62.51 -35.76 80.42 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.3 -179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 84.16 -60.78 4.8 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 37.4 mt -64.44 -37.87 89.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.843 0.354 . . . . 0.0 110.152 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.45 ' O ' ' O ' ' A' ' 10' ' ' ASP . 94.7 p 51.51 -168.63 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.412 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.45 ' O ' ' O ' ' A' ' 9' ' ' SER . 23.8 t70 56.16 114.8 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.019 0.438 . . . . 0.0 110.457 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.658 ' H ' HD23 ' A' ' 11' ' ' LEU . 0.1 OUTLIER -60.32 -36.55 78.18 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.907 -0.588 . . . . 0.0 109.999 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -44.02 -39.0 4.93 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.616 -0.994 . . . . 0.0 110.616 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.48 ' O ' ' CZ ' ' A' ' 16' ' ' ARG . . . -68.81 -36.86 83.16 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.8 -0.92 . . . . 0.0 110.8 179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.574 ' NH2' HH12 ' A' ' 16' ' ' ARG . 6.7 mmp_? -64.62 -37.02 86.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.461 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.1 t -76.83 97.44 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.674 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.574 HH12 ' NH2' ' A' ' 14' ' ' ARG . 6.5 ptp85 -157.24 -28.29 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.445 179.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.433 ' O ' HG23 ' A' ' 21' ' ' VAL . 38.9 m-80 -129.4 -7.44 4.72 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.548 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.563 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.6 mp -54.18 -39.4 42.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -64.42 -50.91 56.73 Favored Glycine 0 CA--C 1.527 0.787 0 C-N-CA 120.396 -0.907 . . . . 0.0 111.581 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 38.3 t0 -76.92 -21.42 54.89 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.751 0.31 . . . . 0.0 111.099 -179.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 23' ' ' GLU . 62.7 t -88.33 -48.8 14.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.791 -179.47 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.577 ' O ' HG11 ' A' ' 27' ' ' VAL . 6.7 ttt -71.6 11.55 0.47 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.903 -179.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.45 ' H ' ' C ' ' A' ' 21' ' ' VAL . 92.9 mt-10 -117.22 13.0 14.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.978 0.418 . . . . 0.0 110.125 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' O ' HG12 ' A' ' 27' ' ' VAL . 36.1 t-80 -45.93 135.04 6.65 Favored Pre-proline 0 CA--C 1.542 0.669 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.352 -179.628 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.4 Cg_exo -41.0 -36.32 2.07 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.821 1.681 . . . . 0.0 112.679 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 26' ' ' LEU . 4.0 mm? -66.79 -41.99 86.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.994 0.426 . . . . 0.0 111.012 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.577 HG11 ' O ' ' A' ' 22' ' ' MET . 0.5 OUTLIER -68.03 -32.9 58.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.516 -179.288 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.7 -45.35 86.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.444 -178.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.7 mt -65.94 -41.42 91.33 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.557 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.53 -46.29 94.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.7 t -63.52 -47.5 91.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.803 0.335 . . . . 0.0 110.381 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.4 p -62.64 -41.71 99.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.721 -179.518 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 83.2 t80 -62.8 -46.41 88.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.791 -179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -41.97 98.83 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.744 -179.485 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -35.73 81.48 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.096 0.474 . . . . 0.0 110.438 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -50.89 71.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.232 -178.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' O ' HG23 ' A' ' 41' ' ' VAL . 77.8 mt -62.24 -39.2 92.04 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.5 m -51.95 -45.37 64.33 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.751 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.86 -46.4 96.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.019 0.438 . . . . 0.0 110.624 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 44' ' ' VAL . 41.5 mm -62.5 -37.98 80.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.585 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 37' ' ' LEU . 43.1 t -56.2 -45.06 80.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.092 -179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.477 HG21 HH11 ' A' ' 133' ' ' ARG . 88.6 t -62.9 -41.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 121.129 0.49 . . . . 0.0 110.512 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.456 ' O ' HG22 ' A' ' 47' ' ' THR . 90.1 t -65.56 -41.97 91.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.774 -179.68 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 HG23 ' O ' ' A' ' 40' ' ' ILE . 77.6 t -60.24 -47.89 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.613 -178.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 pp20? -75.09 -23.86 58.04 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.834 0.35 . . . . 0.0 111.093 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -82.06 -17.9 45.03 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.878 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.491 HG23 ' N ' ' A' ' 48' ' ' MET . 7.1 t -113.85 -43.15 3.3 Favored 'General case' 0 N--CA 1.465 0.279 0 CA-C-O 120.901 0.382 . . . . 0.0 111.061 -178.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.491 ' N ' HG23 ' A' ' 47' ' ' THR . 4.1 ttm -102.92 134.05 47.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.547 -179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -105.73 64.61 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.322 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.34 175.25 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.484 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 11.0 p -73.29 166.34 23.36 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.591 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -55.03 -42.41 80.96 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.049 -0.821 . . . . 0.0 111.049 -179.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -49.49 -59.8 3.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.936 0.398 . . . . 0.0 110.908 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 15.7 m-85 -64.09 -36.57 84.46 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.574 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -43.75 94.27 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.606 -178.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -61.62 -47.33 93.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.183 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.457 ' O ' HG23 ' A' ' 61' ' ' VAL . 70.6 mtp85 -60.73 -41.41 95.27 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.476 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.9 tp -61.59 -44.08 97.67 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -60.99 -45.62 94.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.507 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -64.12 -45.0 90.52 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.201 0.524 . . . . 0.0 110.765 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 57' ' ' ARG . 56.4 t -60.23 -44.55 95.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.474 -0.785 . . . . 0.0 109.684 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.459 ' O ' HG23 ' A' ' 66' ' ' VAL . 36.6 t70 -61.25 -39.93 92.16 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.502 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 7.9 tp -59.49 -42.35 91.92 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.965 0.412 . . . . 0.0 110.604 -179.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.53 -42.77 95.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.245 0.545 . . . . 0.0 109.915 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.9 mt -61.41 -38.73 88.15 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.323 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 62' ' ' ASP . 91.3 t -58.62 -41.67 82.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.607 -0.516 . . . . 0.0 109.607 179.668 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 95.6 mt -60.81 -39.98 83.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.013 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 5.3 mm -56.62 -45.9 82.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.05 0.452 . . . . 0.0 110.316 -179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.0 mp -62.2 -39.36 92.49 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.592 -0.443 . . . . 0.0 109.993 179.333 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.452 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 29.5 m0 -57.75 -37.32 73.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.909 -178.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -60.57 -53.17 60.76 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.451 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -62.29 -46.96 86.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.708 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.53 ' OH ' HG22 ' A' ' 87' ' ' VAL . 5.8 t80 -63.59 -45.83 88.57 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.477 179.302 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.9 -42.37 97.46 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.933 -178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -55.56 -49.12 73.53 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.526 -179.686 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -40.05 90.11 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.008 0.432 . . . . 0.0 110.405 -179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.27 -43.99 88.18 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.614 -179.224 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -62.84 -42.88 99.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.583 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -60.42 -33.34 72.38 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.983 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.8 t -61.26 -23.86 65.97 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.572 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 76.32 1.79 71.19 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 26.5 p-10 -147.61 83.12 7.72 Favored Pre-proline 0 C--N 1.329 -0.294 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.581 ' O ' HG23 ' A' ' 87' ' ' VAL . 53.0 Cg_exo -52.53 -49.16 18.42 Favored 'Trans proline' 0 C--N 1.309 -1.501 0 C-N-CA 122.421 2.081 . . . . 0.0 112.342 -179.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.76 -49.29 78.29 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.73 -0.388 . . . . 0.0 110.477 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -62.53 -38.64 96.69 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -64.4 -37.24 86.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.867 0.365 . . . . 0.0 110.485 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 83' ' ' PRO . 53.9 t -61.47 -45.86 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.847 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 4.9 mptp? -49.53 -20.28 0.72 Allowed 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.28 -0.568 . . . . 0.0 110.171 -179.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -90.21 -14.11 34.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.21 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 43.3 p -115.79 31.73 6.53 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.765 -179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 78.0 mt -63.38 -36.0 82.28 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.429 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 38.0 p90 -90.71 -11.95 38.11 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.909 -179.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 74.8 tt0 -105.39 -9.71 17.4 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.108 0.48 . . . . 0.0 110.632 -179.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.616 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.44 -39.87 6.5 Favored Pre-proline 0 CA--C 1.537 0.452 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.688 178.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.616 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 43.9 Cg_exo -54.4 -37.16 89.26 Favored 'Trans proline' 0 N--CA 1.497 1.677 0 C-N-CA 122.391 2.061 . . . . 0.0 112.419 -177.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -53.43 -22.15 7.25 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.607 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.442 ' HB3' ' HE1' ' A' ' 70' ' ' TRP . 12.1 mt -95.2 37.83 1.16 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.636 -179.589 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 36.4 t -105.81 104.55 49.45 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_exo -52.57 149.16 24.95 Favored 'Trans proline' 0 N--CA 1.496 1.62 0 C-N-CA 122.284 1.989 . . . . 0.0 112.273 179.073 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.9 -18.79 63.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.382 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -61.4 -33.52 84.94 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.431 HD22 ' N ' ' A' ' 102' ' ' LEU . 4.5 mm? -64.34 -63.19 1.2 Allowed 'General case' 0 N--CA 1.463 0.214 0 CA-C-O 120.757 0.313 . . . . 0.0 111.793 -179.041 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.783 HD12 ' N ' ' A' ' 104' ' ' ALA . 4.6 pp -58.96 -33.57 70.79 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.258 -179.294 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.783 ' N ' HD12 ' A' ' 103' ' ' LEU . . . -61.9 -49.57 75.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.512 ' O ' HD23 ' A' ' 105' ' ' LEU . 0.6 OUTLIER -66.47 -40.53 89.4 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.283 -0.567 . . . . 0.0 110.631 -178.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.19 -44.42 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.758 -178.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -68.37 -34.13 75.51 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.09 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -58.76 -45.85 94.27 Favored Glycine 0 CA--C 1.518 0.28 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -178.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -66.31 -45.93 78.66 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.007 0.432 . . . . 0.0 110.749 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 62.2 mt -62.39 -43.2 99.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.347 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.72 -36.35 80.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.37 179.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -58.05 -38.31 88.89 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.776 -0.93 . . . . 0.0 110.776 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 22.3 mt -74.33 -7.55 53.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.597 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 78.99 29.7 50.2 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 70.7 mt -96.23 86.19 4.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.518 0.675 . . . . 0.0 110.706 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.0 m-85 -66.2 -31.67 72.64 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.45 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 20.9 mmm180 -61.87 -43.71 98.3 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.256 0.551 . . . . 0.0 110.386 -179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.401 ' N ' HD22 ' A' ' 118' ' ' LEU . 4.3 mm? -64.21 -36.97 85.81 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.967 178.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 73.5 t -58.9 -43.27 88.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.012 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 60.8 ttm-85 -59.45 -46.12 89.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.408 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 6.9 mp -63.05 -40.61 98.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.02 0.438 . . . . 0.0 110.139 178.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 5.2 tt -61.81 -42.3 98.84 Favored 'General case' 0 C--N 1.317 -0.838 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.203 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -63.07 -42.37 99.64 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.226 179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 56.4 t80 -59.24 -44.86 92.33 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-O 121.274 0.559 . . . . 0.0 109.975 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 67.2 tp -61.95 -37.64 85.51 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.91 -41.11 86.47 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.003 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.4 HD13 ' HA ' ' A' ' 127' ' ' ILE . 40.4 mm -59.81 -42.83 90.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 121.044 0.45 . . . . 0.0 110.106 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.4 mt -61.46 -36.13 79.56 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.178 179.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.557 HD13 ' O ' ' A' ' 129' ' ' LEU . 0.2 OUTLIER -61.83 -43.15 99.43 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.202 0.525 . . . . 0.0 110.262 -179.2 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.0 mt -60.74 -38.88 79.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.258 179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 77.6 mt -60.27 -42.42 90.47 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.822 -179.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 24.7 p -56.58 -46.65 80.68 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.035 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.477 HH11 HG21 ' A' ' 42' ' ' VAL . 5.0 mtt180 -69.7 -39.56 76.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.913 178.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -57.85 -28.09 60.11 Favored Glycine 0 CA--C 1.522 0.49 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 23.2 p -57.45 -37.02 72.18 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.863 -0.335 . . . . 0.0 110.204 -179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.29 -47.49 82.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.04 0.448 . . . . 0.0 110.561 179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -60.42 -46.16 91.02 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.751 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -40.28 92.61 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.155 -178.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.4 t -57.47 -42.96 83.59 Favored 'General case' 0 C--N 1.323 -0.554 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.617 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -69.07 -50.46 48.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.143 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.13 -36.18 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -47.84 -27.49 2.11 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.242 -178.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -72.07 -55.4 7.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.783 179.267 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -67.53 -23.16 65.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.806 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.52 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -60.02 -29.46 68.51 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.248 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -70.14 -42.77 72.13 Favored 'General case' 0 C--N 1.324 -0.511 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.758 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt -77.42 -40.21 44.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.946 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 148' ' ' LEU . 10.9 mp -88.17 -42.66 12.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.987 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.689 ' O ' HG22 ' A' ' 149' ' ' VAL . 2.4 p 32.87 67.5 1.04 Allowed Pre-proline 0 N--CA 1.467 0.398 0 O-C-N 123.624 0.577 . . . . 0.0 111.262 -179.725 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -72.71 -31.01 11.08 Favored 'Trans proline' 0 C--N 1.306 -1.659 0 C-N-CA 122.063 1.842 . . . . 0.0 111.793 -179.356 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.82 -1.086 . . . . 0.0 110.824 -179.547 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.421 HD22 ' HA ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.488 1.425 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ptt180 -173.91 -159.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.374 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.8 80.15 1.15 Allowed Glycine 0 CA--C 1.521 0.407 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.8 mm? -85.24 80.95 9.01 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.965 0.412 . . . . 0.0 110.446 -179.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.447 ' O ' ' O ' ' A' ' 8' ' ' LEU . 88.2 p 50.09 176.11 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.177 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -145.85 17.74 1.44 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.508 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 30.6 tp 52.05 75.79 0.2 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.352 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -97.58 123.37 7.79 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.794 -0.922 . . . . 0.0 110.794 179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 156.48 -72.75 0.24 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -60.61 -45.52 93.7 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.083 0.468 . . . . 0.0 110.742 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' N ' ' A' ' 19' ' ' GLY . 21.4 t -71.22 -24.69 24.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.302 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 65.0 ttp85 -63.12 -48.54 78.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.501 -179.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 96.5 m-20 -66.54 -49.84 65.16 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.406 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.475 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.4 mp -66.53 -44.78 90.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 15' ' ' VAL . . . -57.83 -49.84 70.96 Favored Glycine 0 C--N 1.318 -0.444 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -65.57 -48.0 73.88 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.921 0.391 . . . . 0.0 110.886 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 t -64.29 -46.4 93.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 121.313 0.578 . . . . 0.0 110.759 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.609 ' SD ' ' CD2' ' A' ' 75' ' ' TYR . 18.7 ttt -60.63 -39.17 87.27 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.505 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -73.2 27.86 0.06 Allowed 'General case' 0 CA--C 1.514 -0.42 0 CA-C-O 120.91 0.386 . . . . 0.0 110.226 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.546 ' H ' ' C ' ' A' ' 22' ' ' MET . 0.4 OUTLIER -44.61 139.86 3.41 Favored Pre-proline 0 N--CA 1.444 -0.756 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.523 -178.39 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -44.29 -34.04 6.73 Favored 'Trans proline' 0 C--N 1.308 -1.592 0 C-N-CA 122.133 1.889 . . . . 0.0 112.926 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.5 mt -64.2 -44.34 92.27 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.155 0.502 . . . . 0.0 111.008 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -69.88 -34.24 59.38 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.537 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tp10 -64.13 -42.17 96.91 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.297 -178.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 26.3 mt -63.49 -42.61 98.53 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.294 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -63.68 -47.22 88.66 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 65.2 t -65.02 -42.59 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.703 0.287 . . . . 0.0 110.364 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.4 p -58.26 -43.68 88.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.448 -179.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.52 -43.33 99.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.465 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.69 -49.87 75.99 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.547 -179.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.9 -35.08 79.48 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.645 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 ' C ' HD23 ' A' ' 36' ' ' LEU . 3.0 tt -56.37 -59.2 5.31 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.556 -0.458 . . . . 0.0 111.036 -178.603 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 73.8 mt -63.74 -28.25 69.75 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.745 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.6 p -59.89 -38.52 82.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.126 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.4 t -62.03 -45.48 98.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.936 0.398 . . . . 0.0 110.976 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.477 ' O ' HG23 ' A' ' 44' ' ' VAL . 39.7 mm -63.56 -37.65 80.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.592 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.7 t -58.16 -47.03 88.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 C-N-CA 120.74 -0.384 . . . . 0.0 110.871 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.406 HG11 ' CG2' ' A' ' 130' ' ' ILE . 53.1 t -62.93 -43.46 98.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.977 0.418 . . . . 0.0 110.761 -179.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.8 t -60.2 -43.12 92.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.514 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 40' ' ' ILE . 65.7 t -58.03 -44.36 86.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.3 -179.475 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -66.83 -43.56 83.43 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.95 0.405 . . . . 0.0 110.945 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -61.7 -46.14 90.97 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.618 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.514 ' O ' ' NE2' ' A' ' 49' ' ' GLN . 74.1 p -79.82 -70.25 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.154 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.466 ' O ' ' O ' ' A' ' 44' ' ' VAL . 16.4 mtm -93.21 154.66 17.91 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.602 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.514 ' NE2' ' O ' ' A' ' 47' ' ' THR . 22.8 mp0 -115.33 5.94 14.77 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 47.9 mt 39.84 -144.11 0.03 OUTLIER 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.153 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 55' ' ' LEU . 5.6 m -121.5 159.38 26.42 Favored 'General case' 0 C--O 1.221 -0.398 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.73 -46.52 13.37 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.06 -0.816 . . . . 0.0 111.06 -179.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -63.73 -55.36 23.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.889 0.376 . . . . 0.0 110.581 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -64.26 -30.49 71.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.539 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.487 ' N ' ' O ' ' A' ' 51' ' ' SER . 36.4 tp -62.95 -44.22 96.65 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.286 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 45.6 t -64.05 -44.45 97.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.214 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.9 ttm180 -60.52 -43.06 97.51 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.35 -179.481 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 7.8 tp -61.66 -41.31 97.36 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.285 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -61.3 -41.52 97.11 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.123 179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.05 -38.28 85.62 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.918 -179.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 52.3 t -61.7 -45.69 98.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.3 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.434 ' O ' HG23 ' A' ' 66' ' ' VAL . 44.2 t0 -57.84 -43.87 86.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.41 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 9.5 mp -61.86 -40.52 95.64 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.708 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.407 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 56.1 mt -59.91 -32.86 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.97 0.414 . . . . 0.0 110.058 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.6 mt -76.38 -34.63 58.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.215 0.531 . . . . 0.0 110.781 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.52 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 98.1 t -64.63 -46.24 92.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.163 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 14.0 pt -57.3 -37.57 57.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.598 -179.633 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 86.4 mt -62.04 -46.29 96.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 C-N-CA 120.718 -0.393 . . . . 0.0 110.034 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -66.44 -38.19 86.85 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.305 0.574 . . . . 0.0 110.457 179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.52 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 14.9 m0 -58.15 -35.19 71.16 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.729 -179.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.32 -54.42 17.15 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -67.76 -36.1 79.9 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.062 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.587 ' CE2' ' OH ' ' A' ' 86' ' ' TYR . 76.6 t80 -61.52 -49.19 77.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.016 -179.098 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.03 -34.77 73.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.094 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.609 ' CD2' ' SD ' ' A' ' 22' ' ' MET . 78.6 t80 -58.82 -53.96 52.51 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-O 121.289 0.566 . . . . 0.0 111.128 -178.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -66.26 -34.85 78.94 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.692 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.35 -53.91 31.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.259 -178.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.1 m-85 -65.09 -40.67 94.96 Favored 'General case' 0 C--N 1.325 -0.458 0 C-N-CA 120.834 -0.346 . . . . 0.0 110.903 -179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.7 mmtt -61.18 -29.88 70.07 Favored 'General case' 0 C--N 1.32 -0.694 0 C-N-CA 120.481 -0.488 . . . . 0.0 111.056 -179.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 70.5 m -64.25 -17.43 63.59 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.635 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.32 -1.03 52.11 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.448 ' O ' ' OD1' ' A' ' 82' ' ' ASP . 1.4 p30 -154.39 90.4 3.18 Favored Pre-proline 0 C--N 1.325 -0.494 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.661 ' O ' HG23 ' A' ' 87' ' ' VAL . 60.3 Cg_exo -48.47 -52.08 9.11 Favored 'Trans proline' 0 C--N 1.309 -1.518 0 C-N-CA 122.023 1.816 . . . . 0.0 113.157 -178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -72.84 -16.17 61.6 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.67 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -76.1 -45.38 15.83 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.249 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.587 ' OH ' ' CE2' ' A' ' 73' ' ' TYR . 2.2 p90 -77.01 -25.65 52.89 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.132 0.491 . . . . 0.0 110.918 -178.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 83' ' ' PRO . 41.5 t -58.81 -45.23 91.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 C-N-CA 120.387 -0.525 . . . . 0.0 110.805 -178.558 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HG2' ' H ' ' A' ' 88' ' ' LYS . 51.4 mmtt -46.55 -22.2 0.25 Allowed 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.265 -179.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.407 ' N ' ' C ' ' A' ' 87' ' ' VAL . 35.2 ttpt -94.49 -30.46 14.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.881 -0.599 . . . . 0.0 111.111 -179.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 32.4 p -99.93 28.24 4.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.968 0.413 . . . . 0.0 111.009 -178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 97.8 mt -60.6 -40.31 91.33 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.57 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 34.1 p90 -76.86 -2.74 34.97 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.573 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 69.6 tt0 -94.23 -31.24 14.19 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 121.0 0.428 . . . . 0.0 110.212 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.631 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 1.7 mp -51.44 -53.06 53.81 Favored Pre-proline 0 C--N 1.325 -0.471 0 CA-C-N 116.119 -0.491 . . . . 0.0 109.933 178.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 17.3 Cg_endo -54.67 -27.14 50.01 Favored 'Trans proline' 0 N--CA 1.491 1.338 0 C-N-CA 122.36 2.04 . . . . 0.0 112.125 -178.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -78.81 -13.18 59.95 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 68.9 mt -111.28 -16.78 13.31 Favored 'General case' 0 CA--C 1.515 -0.396 0 CA-C-O 120.785 0.326 . . . . 0.0 110.159 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 11.6 t -41.71 106.99 0.47 Allowed Pre-proline 0 CA--C 1.54 0.592 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.03 -179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_exo -54.52 145.65 57.01 Favored 'Trans proline' 0 N--CA 1.495 1.581 0 C-N-CA 122.152 1.902 . . . . 0.0 111.844 178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.32 -28.91 70.07 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.838 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -63.25 -31.98 82.58 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 32.6 tp -60.12 -52.56 64.8 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.481 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 122' ' ' LEU . 3.9 mm? -68.16 -38.46 82.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.735 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.81 -49.86 69.95 Favored 'General case' 0 C--N 1.317 -0.847 0 C-N-CA 120.556 -0.458 . . . . 0.0 110.619 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 75.2 mt -64.74 -45.77 85.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.851 0.358 . . . . 0.0 111.29 -179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 97.7 mt -66.35 -43.29 91.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.264 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.57 -40.18 96.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.374 -179.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -61.15 -44.94 97.51 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.759 -0.936 . . . . 0.0 110.759 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -32.52 68.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.051 0.453 . . . . 0.0 109.822 179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 56.1 tp -58.51 -47.39 84.29 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.54 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.07 -25.42 65.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.796 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -56.28 -16.86 16.05 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.515 ' HB3' HD12 ' A' ' 115' ' ' LEU . 0.2 OUTLIER -74.46 -14.41 60.83 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.544 -179.241 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 79.69 53.35 4.34 Favored Glycine 0 CA--C 1.529 0.931 0 N-CA-C 111.145 -0.782 . . . . 0.0 111.145 179.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . 0.677 HD13 ' H ' ' A' ' 115' ' ' LEU . 0.0 OUTLIER -156.43 -177.7 6.79 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 -178.056 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.644 ' N ' HD22 ' A' ' 115' ' ' LEU . 0.3 OUTLIER -142.81 -8.32 0.82 Allowed 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.948 179.188 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -58.09 -57.59 12.17 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.135 0.493 . . . . 0.0 111.386 -179.46 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 44.1 mt -63.01 -35.79 81.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.183 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 92.9 t -58.83 -41.47 82.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.31 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 20.2 mmt85 -58.24 -41.25 83.74 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.8 mp -62.6 -39.49 93.93 Favored 'General case' 0 C--N 1.323 -0.549 0 C-N-CA 120.543 -0.463 . . . . 0.0 109.752 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.4 HD12 HD12 ' A' ' 103' ' ' LEU . 3.3 mm? -61.89 -40.11 94.29 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.242 0.544 . . . . 0.0 110.164 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -61.28 -43.2 99.26 Favored 'General case' 0 C--N 1.307 -1.26 0 C-N-CA 119.834 -0.747 . . . . 0.0 110.231 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.37 -38.22 86.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.762 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 11.1 tp -61.46 -37.09 82.31 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.547 -0.751 . . . . 0.0 109.964 -179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -59.76 -45.86 90.94 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.059 0.457 . . . . 0.0 110.608 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 2.2 mp -63.22 -42.26 95.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.475 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 15.5 mt -69.21 -28.82 66.7 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.562 -179.705 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.47 HD11 ' O ' ' A' ' 95' ' ' PRO . 0.2 OUTLIER -60.78 -47.32 86.87 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.733 -178.553 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.406 ' CG2' HG11 ' A' ' 42' ' ' VAL . 12.5 pt -70.74 -40.15 76.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.739 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 4.9 mm -57.02 -29.97 32.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.445 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 52.3 p -78.11 -53.24 7.61 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.951 0.405 . . . . 0.0 110.403 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 41.7 ttt180 -62.54 -39.8 94.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.864 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -50.63 -23.67 6.88 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 5.3 t -54.83 -38.73 67.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.967 0.413 . . . . 0.0 110.412 -179.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -63.32 -41.41 98.91 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.427 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -59.09 -47.76 84.09 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.229 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.82 -43.66 92.37 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.84 0.352 . . . . 0.0 110.468 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 44.1 m -61.83 -48.9 78.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.222 -179.457 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -63.78 -47.8 79.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.814 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 6.8 mm -65.24 -42.69 94.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.332 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.84 -51.37 63.79 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.557 -179.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -65.7 -47.29 75.89 Favored 'General case' 0 C--O 1.238 0.495 0 CA-C-O 121.409 0.623 . . . . 0.0 110.666 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.02 -43.15 99.46 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.692 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -57.18 -39.78 76.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.551 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -58.01 -49.69 75.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.985 0.421 . . . . 0.0 110.185 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -73.32 -32.88 64.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.745 179.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.67 -48.18 82.94 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.52 -178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -118.54 81.2 17.66 Favored Pre-proline 0 C--O 1.232 0.184 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 58.9 Cg_endo -76.16 78.06 3.32 Favored 'Trans proline' 0 C--N 1.312 -1.354 0 C-N-CA 122.444 2.096 . . . . 0.0 111.913 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 25.9 ptt-85 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.979 -1.01 . . . . 0.0 110.584 179.547 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 73.8 ttp85 -49.53 97.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.462 -179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.78 -146.98 7.45 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.674 -0.97 . . . . 0.0 110.674 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.491 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -94.92 171.91 8.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.984 0.421 . . . . 0.0 110.234 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 57.8 m -158.89 143.55 15.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.594 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.476 ' OD1' ' N ' ' A' ' 11' ' ' LEU . 63.1 t0 -76.79 132.94 39.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.257 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' OD1' ' A' ' 10' ' ' ASP . 5.5 tp -151.92 95.61 2.11 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.907 0.384 . . . . 0.0 110.562 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -67.41 67.44 0.25 Allowed Glycine 0 CA--C 1.525 0.714 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 11' ' ' LEU . . . -165.0 -27.35 0.02 OUTLIER Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -65.63 -20.18 66.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.777 0.323 . . . . 0.0 110.546 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.465 HG13 ' NZ ' ' A' ' 79' ' ' LYS . 97.4 t -89.34 106.3 16.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.094 179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.574 ' C ' ' H ' ' A' ' 18' ' ' ILE . 0.6 OUTLIER -161.91 126.07 3.25 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.428 -179.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 7.1 m120 63.66 -10.75 0.12 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.907 179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.574 ' H ' ' C ' ' A' ' 16' ' ' ARG . 47.1 mm -61.85 -44.32 98.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 C-N-CA 121.151 -0.219 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.74 -44.94 86.73 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.954 -0.858 . . . . 0.0 110.954 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 83.7 m-20 -80.1 -44.18 20.42 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.959 0.409 . . . . 0.0 111.255 179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 38.2 t -62.28 -27.59 42.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.323 -179.676 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.491 ' SD ' ' O ' ' A' ' 22' ' ' MET . 1.2 tmt? -62.58 -13.63 33.36 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.762 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -103.92 29.12 6.08 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.26 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.679 ' NE2' HG23 ' A' ' 27' ' ' VAL . 4.4 p80 -42.64 151.57 0.38 Allowed Pre-proline 0 CA--C 1.536 0.428 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.168 -179.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -39.1 -39.13 1.35 Allowed 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.597 2.198 . . . . 0.0 113.375 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.546 ' HB2' ' ND1' ' A' ' 24' ' ' HIS . 10.9 mp -57.39 -45.17 84.81 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.363 -0.535 . . . . 0.0 109.957 -179.142 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.679 HG23 ' NE2' ' A' ' 24' ' ' HIS . 19.0 t -66.3 -43.0 91.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.502 178.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -52.67 -55.09 25.05 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.857 -178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.42 ' N ' HD12 ' A' ' 29' ' ' LEU . 11.1 mp -63.91 -42.46 97.41 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.873 -0.331 . . . . 0.0 110.857 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.86 -46.97 93.19 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.72 -44.02 93.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.768 0.318 . . . . 0.0 110.511 179.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.9 t -60.61 -42.57 97.09 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.682 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.9 t80 -57.67 -47.73 81.47 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.376 -179.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -65.38 -41.38 93.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.838 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -61.1 -39.38 89.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.492 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' O ' HD13 ' A' ' 40' ' ' ILE . 5.6 tt -62.52 -52.94 61.48 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.627 -0.429 . . . . 0.0 111.102 -179.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -63.12 -36.17 82.71 Favored 'General case' 0 C--N 1.321 -0.649 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.545 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.457 ' O ' HG23 ' A' ' 42' ' ' VAL . 56.2 p -57.86 -45.19 86.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.944 -179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 53.0 t -61.63 -46.41 96.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.635 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.605 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.3 mp -62.44 -46.41 96.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.775 -0.37 . . . . 0.0 110.646 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 54.2 t -63.84 -43.7 97.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 120.84 0.352 . . . . 0.0 110.635 -179.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 38' ' ' SER . 33.7 t -60.34 -48.71 87.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.938 -179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.46 ' O ' HG22 ' A' ' 47' ' ' THR . 74.1 t -62.46 -43.1 97.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.695 -179.229 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG23 ' O ' ' A' ' 40' ' ' ILE . 53.4 t -57.7 -43.71 84.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.133 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.546 ' OE2' ' CZ ' ' A' ' 59' ' ' TYR . 86.3 tt0 -66.76 -35.97 81.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.781 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 51.2 t80 -59.28 -48.83 80.15 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.915 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -87.7 -71.03 0.59 Allowed 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.983 0.42 . . . . 0.0 110.52 -179.429 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 95.3 mmm -71.75 126.03 28.67 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.665 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.409 ' O ' ' O ' ' A' ' 50' ' ' LEU . 78.0 mm-40 -97.11 -1.65 44.77 Favored 'General case' 0 CA--C 1.516 -0.34 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.752 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' O ' ' O ' ' A' ' 49' ' ' GLN . 81.9 mt 38.29 -159.8 0.0 OUTLIER 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.705 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 54.8 m -98.81 173.62 6.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.701 0.286 . . . . 0.0 110.673 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.87 -47.94 88.73 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -179.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.9 pm0 -64.92 -41.15 95.79 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-O 120.945 0.403 . . . . 0.0 110.361 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -61.72 -40.7 96.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.261 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 32.4 mt -62.19 -39.7 93.6 Favored 'General case' 0 C--N 1.323 -0.568 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.418 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.3 t -58.0 -47.28 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 109.487 -0.561 . . . . 0.0 109.487 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -65.09 -43.17 93.0 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 120.321 -0.552 . . . . 0.0 110.651 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.9 tp -62.17 -46.3 89.58 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.491 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.546 ' CZ ' ' OE2' ' A' ' 45' ' ' GLU . 12.5 m-85 -60.88 -42.46 97.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.297 179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.39 -45.44 91.09 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.723 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 46.0 t -60.98 -44.27 97.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.427 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.451 ' O ' HG23 ' A' ' 66' ' ' VAL . 46.0 t0 -59.21 -38.81 80.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.102 -179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 40.6 tp -62.44 -37.93 87.81 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.528 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 35.6 mm -60.67 -42.39 91.73 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 CA-C-O 121.671 0.748 . . . . 0.0 109.648 -179.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 43.9 mt -67.92 -34.67 77.07 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.377 178.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 62' ' ' ASP . 69.5 t -64.96 -49.32 80.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 C-N-CA 120.867 -0.333 . . . . 0.0 111.273 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 20.1 pt -56.67 -35.53 45.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.097 -179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 69.7 mt -62.05 -44.77 99.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.177 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 20.6 mt -67.34 -38.38 84.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.218 0.532 . . . . 0.0 110.543 179.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -56.65 -36.31 69.38 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.013 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -50.5 -47.69 57.16 Favored 'General case' 0 C--N 1.324 -0.541 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.342 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -62.43 -46.54 88.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.897 0.38 . . . . 0.0 110.526 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.417 ' CD1' ' C ' ' A' ' 73' ' ' TYR . 0.4 OUTLIER -67.22 -42.64 83.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.585 179.291 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -64.51 -43.87 92.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.176 -178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -59.8 -48.34 82.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.478 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 41.2 mmm-85 -66.48 -37.67 85.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.817 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.44 -59.06 5.72 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.922 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 61.0 m-85 -61.91 -34.16 75.55 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.015 0.436 . . . . 0.0 110.628 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.465 ' NZ ' HG13 ' A' ' 15' ' ' VAL . 14.3 tttp -61.83 -36.29 80.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.756 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 20.0 t -66.78 -16.13 64.05 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.789 -179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 74.96 2.63 65.92 Favored Glycine 0 CA--C 1.522 0.496 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' OD1' ' N ' ' A' ' 82' ' ' ASP . 22.2 p-10 -150.92 79.22 7.08 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 179.743 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.629 ' O ' HG23 ' A' ' 87' ' ' VAL . 12.1 Cg_endo -54.01 -49.04 18.5 Favored 'Trans proline' 0 N--CA 1.497 1.704 0 C-N-CA 122.135 1.89 . . . . 0.0 112.878 -178.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.457 ' O ' ' CD ' ' A' ' 88' ' ' LYS . . . -55.97 -50.68 70.14 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.694 -0.402 . . . . 0.0 110.581 -179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -66.82 -33.0 82.76 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.079 -0.808 . . . . 0.0 111.079 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -75.16 -23.48 57.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.853 0.359 . . . . 0.0 110.799 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 83' ' ' PRO . 23.1 t -68.22 -49.2 69.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.756 -0.378 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.457 ' CD ' ' O ' ' A' ' 84' ' ' ALA . 12.7 mptt -51.95 -18.46 1.37 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.078 -179.133 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -87.72 -12.57 44.88 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.073 -179.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 p -114.62 34.72 4.61 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 120.959 0.409 . . . . 0.0 110.838 -179.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.414 ' O ' ' CD ' ' A' ' 95' ' ' PRO . 34.4 mt -71.41 -22.2 61.89 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.592 -179.656 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -94.76 -11.71 28.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.67 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 73.6 tt0 -99.1 -33.41 10.8 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.862 0.363 . . . . 0.0 110.356 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.658 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 42.2 mt -58.0 -49.46 93.52 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 177.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 8.0 Cg_endo -49.09 -24.88 8.31 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.362 2.042 . . . . 0.0 111.84 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -86.96 -14.67 41.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 0.0 110.659 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 98' ' ' VAL . 28.6 mt -108.72 -18.62 13.66 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.588 -179.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.414 ' C ' ' O ' ' A' ' 97' ' ' LEU . 12.8 t -35.81 100.3 0.19 Allowed Pre-proline 0 CA--C 1.537 0.463 0 O-C-N 123.432 0.458 . . . . 0.0 110.575 -179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -53.14 130.16 36.85 Favored 'Trans proline' 0 N--CA 1.493 1.462 0 C-N-CA 121.944 1.763 . . . . 0.0 111.858 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -71.34 -18.76 62.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.466 179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.45 -50.29 68.24 Favored Glycine 0 CA--C 1.526 0.772 0 N-CA-C 111.131 -0.788 . . . . 0.0 111.131 -179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.19 -43.37 98.39 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.568 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.513 HD22 ' N ' ' A' ' 103' ' ' LEU . 4.3 mm? -64.31 -41.37 96.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.422 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.31 -48.72 76.12 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.63 -179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 78.6 mt -64.01 -42.93 97.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.85 0.357 . . . . 0.0 111.124 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 92.8 mt -63.79 -43.25 97.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.357 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -60.98 -38.51 86.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.269 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.28 -39.89 98.38 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.702 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -60.63 -48.17 82.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.979 0.419 . . . . 0.0 110.427 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 98.6 mt -62.13 -40.38 95.73 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.612 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.33 79.3 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.388 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.77 -39.73 97.15 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.539 -1.024 . . . . 0.0 110.539 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 113' ' ' LEU . 4.2 mm? -73.71 -21.83 60.1 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.878 179.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 85.81 25.91 36.68 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 -179.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 28.8 mt -88.78 71.01 8.73 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.325 0.584 . . . . 0.0 110.101 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 90.3 m-85 -59.82 -30.28 68.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.674 -179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -56.0 -46.31 78.79 Favored 'General case' 0 C--O 1.237 0.409 0 CA-C-O 120.835 0.35 . . . . 0.0 110.212 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 89.6 mt -67.52 -35.95 80.08 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.978 179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 60.9 t -61.25 -42.57 93.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.268 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 78.9 mtp180 -59.54 -46.53 88.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.541 -0.299 . . . . 0.0 110.534 179.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.3 mp -64.03 -40.99 97.54 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.498 -0.481 . . . . 0.0 109.865 179.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 4.5 tt -61.96 -41.18 97.7 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.077 -0.51 . . . . 0.0 109.909 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.491 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 68.9 ttp85 -61.49 -46.21 90.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.402 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.7 -36.59 72.19 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 6.3 tp -61.96 -40.51 95.83 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.991 -0.55 . . . . 0.0 109.962 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.491 ' HE ' ' HA ' ' A' ' 123' ' ' ARG . 76.8 mtm180 -61.4 -41.81 97.73 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.485 -0.486 . . . . 0.0 110.596 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.46 -46.1 85.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 C-N-CA 120.728 -0.389 . . . . 0.0 110.25 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 94.9 mt -62.53 -36.52 82.86 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.414 HD21 ' HE ' ' A' ' 133' ' ' ARG . 6.4 tt -61.66 -40.65 95.67 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.479 179.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.9 mm -60.2 -46.07 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.235 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.06 -42.41 96.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.111 179.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 10.3 p -53.69 -51.98 61.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.483 -179.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.414 ' HE ' HD21 ' A' ' 129' ' ' LEU . 86.2 mtt180 -60.96 -33.16 72.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.085 0.469 . . . . 0.0 110.064 179.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.63 -39.68 86.25 Favored Glycine 0 CA--C 1.528 0.901 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 90.5 p -60.51 -46.83 88.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.025 0.44 . . . . 0.0 110.497 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 34.5 ttpt -66.91 -36.64 82.72 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.182 179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 37.4 t80 -59.13 -48.78 80.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.251 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 86.4 mt -61.65 -42.2 98.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.514 -179.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 88.6 p -62.46 -31.24 71.93 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.471 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -71.79 -52.99 14.79 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.199 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 145' ' ' ALA . 1.8 mp -64.08 -44.25 97.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.383 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.95 -44.02 86.72 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.855 0.36 . . . . 0.0 110.553 -179.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . 0.476 ' O ' ' OD1' ' A' ' 146' ' ' ASP . 99.7 m-20 -61.93 -37.77 85.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.415 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . 0.55 ' O ' ' N ' ' A' ' 148' ' ' LEU . . . -83.52 -29.36 27.98 Favored 'General case' 0 C--O 1.22 -0.452 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.461 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -57.13 -40.94 78.1 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.695 -0.229 . . . . 0.0 110.974 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.543 ' OD1' ' N ' ' A' ' 147' ' ' LYS . 36.6 p-10 -52.03 -30.92 27.56 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.625 -0.43 . . . . 0.0 110.713 -179.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.543 ' N ' ' OD1' ' A' ' 146' ' ' ASP . 20.3 ptmt -113.74 -15.27 12.48 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.851 0.358 . . . . 0.0 111.063 -179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.686 ' O ' ' O ' ' A' ' 149' ' ' VAL . 4.7 tp -103.97 9.54 36.58 Favored 'General case' 0 C--O 1.22 -0.461 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 -179.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.686 ' O ' ' O ' ' A' ' 148' ' ' LEU . 22.2 m 45.01 150.02 0.0 OUTLIER Pre-proline 0 CA--C 1.543 0.711 0 O-C-N 123.892 0.745 . . . . 0.0 112.057 179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 76.8 Cg_exo -43.03 -53.06 4.28 Favored 'Trans proline' 0 C--N 1.307 -1.642 0 C-N-CA 121.241 1.294 . . . . 0.0 112.368 179.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 47.9 mtm105 . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.121 -0.942 . . . . 0.0 110.9 -179.393 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 5' ' ' LEU . 11.1 mp . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 89.6 mtm180 -105.57 -11.04 16.52 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.441 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 9' ' ' SER . . . -66.72 -55.81 15.72 Favored Glycine 0 CA--C 1.526 0.779 0 N-CA-C 111.348 -0.701 . . . . 0.0 111.348 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.8 mp 48.67 -85.59 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.869 0.366 . . . . 0.0 110.688 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.548 ' N ' ' O ' ' A' ' 7' ' ' GLY . 82.3 p 48.34 21.73 0.39 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -179.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -67.91 139.75 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.641 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 61.5 tp -108.39 -36.62 6.19 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.666 -0.243 . . . . 0.0 110.742 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -59.29 -48.82 84.08 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.35 48.36 3.93 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.764 -0.935 . . . . 0.0 110.764 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -155.97 -39.87 0.08 Allowed 'General case' 0 CA--C 1.516 -0.345 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.616 ' O ' HG22 ' A' ' 18' ' ' ILE . 2.8 p -58.87 -30.88 43.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.326 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.8 mtt85 -73.74 -49.71 24.2 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.432 179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.527 ' ND2' ' O ' ' A' ' 17' ' ' ASN . 0.6 OUTLIER -66.32 -14.4 61.98 Favored 'General case' 0 CA--C 1.514 -0.415 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.706 -179.385 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.616 HG22 ' O ' ' A' ' 15' ' ' VAL . 2.4 tp -58.17 -36.29 56.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.24 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -57.96 -51.46 58.14 Favored Glycine 0 CA--C 1.523 0.55 0 C-N-CA 120.56 -0.829 . . . . 0.0 111.11 -179.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 53.6 t0 -70.11 -39.64 75.38 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.984 0.421 . . . . 0.0 110.947 179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.48 -33.1 57.64 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.55 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.263 -179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.546 ' O ' HG11 ' A' ' 27' ' ' VAL . 9.0 tpt -67.61 -6.26 19.47 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.36 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -117.0 12.22 14.53 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 120.738 0.304 . . . . 0.0 110.229 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.503 ' O ' HG12 ' A' ' 27' ' ' VAL . 16.0 t60 -46.6 128.26 8.23 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 -179.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_exo -39.68 -31.74 0.45 Allowed 'Trans proline' 0 N--CA 1.489 1.226 0 C-N-CA 121.297 1.331 . . . . 0.0 113.023 -178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 22.7 mt -68.55 -39.98 80.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.732 0.301 . . . . 0.0 111.058 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.546 HG11 ' O ' ' A' ' 22' ' ' MET . 1.2 p -64.38 -39.4 85.41 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 CA-C-O 121.051 0.453 . . . . 0.0 110.744 -179.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tp10 -65.52 -41.77 92.75 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.56 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.71 -43.24 99.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.658 -179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.32 -49.86 73.03 Favored Glycine 0 CA--C 1.527 0.8 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 73.0 t -65.7 -42.73 93.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.854 0.359 . . . . 0.0 110.152 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.3 t -58.69 -43.18 89.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.523 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -60.4 -46.58 89.5 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.226 -179.676 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.95 -40.65 96.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.47 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.22 -38.03 89.61 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.55 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.64 -47.84 84.44 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.395 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 88.9 mt -65.33 -39.62 92.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.553 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.647 ' O ' HG23 ' A' ' 42' ' ' VAL . 9.6 p -58.15 -45.76 86.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.118 -179.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 74.8 t -65.14 -44.53 95.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.969 0.414 . . . . 0.0 110.423 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.5 mm -63.62 -42.66 96.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.567 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.4 t -58.95 -43.9 89.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 38' ' ' SER . 98.6 t -60.26 -45.25 96.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.505 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 97.2 t -64.19 -41.26 91.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.843 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -58.51 -46.37 89.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.113 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' OE2' ' CD1' ' A' ' 55' ' ' LEU . 49.7 tp10 -67.47 -42.54 82.81 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.542 -0.463 . . . . 0.0 110.394 179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 73.3 t80 -63.11 -52.11 63.87 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.54 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.474 HG23 ' N ' ' A' ' 48' ' ' MET . 5.1 t -71.06 -44.03 66.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.016 0.436 . . . . 0.0 110.954 -179.179 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.474 ' N ' HG23 ' A' ' 47' ' ' THR . 14.6 tpp -114.74 126.22 54.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.612 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 50' ' ' LEU . 91.6 mt-30 -91.87 69.68 5.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.001 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 ' O ' ' O ' ' A' ' 49' ' ' GLN . 78.8 mt -44.09 167.99 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.657 -179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 74.7 m -77.76 172.61 13.16 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.218 -179.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.18 -47.88 84.29 Favored Glycine 0 CA--C 1.526 0.727 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.725 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.481 ' CG ' ' N ' ' A' ' 54' ' ' TYR . 13.6 pt-20 -53.99 -49.69 68.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.897 0.379 . . . . 0.0 110.368 -179.637 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.481 ' N ' ' CG ' ' A' ' 53' ' ' GLU . 23.1 m-85 -70.41 -35.09 73.23 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.599 179.282 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.447 ' CD1' ' OE2' ' A' ' 45' ' ' GLU . 8.2 tp -59.81 -45.13 93.32 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 -179.332 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.52 -46.89 93.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.503 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 41.0 ttm180 -64.64 -41.49 96.11 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.497 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.3 tp -62.3 -40.46 96.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.215 0.531 . . . . 0.0 109.694 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.97 -39.65 95.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.516 -179.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 60' ' ' LEU . 34.4 mt -62.08 -40.99 97.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 0.0 110.125 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.19 -44.83 96.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.658 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.059 179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 66' ' ' VAL . 50.4 t0 -56.83 -45.52 82.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.626 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.17 -38.61 89.71 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.875 -0.33 . . . . 0.0 110.906 179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' O ' ' CG1' ' A' ' 67' ' ' ILE . 24.5 mm -60.14 -42.68 90.94 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.318 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.257 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 56.1 mt -72.74 -36.25 67.68 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.959 0.409 . . . . 0.0 111.597 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.648 HG23 ' O ' ' A' ' 62' ' ' ASP . 72.5 t -59.88 -44.72 94.91 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.426 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.206 -179.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.437 ' CG1' ' O ' ' A' ' 64' ' ' ILE . 19.0 pt -59.63 -33.99 53.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 C-N-CA 120.405 -0.518 . . . . 0.0 110.707 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 63.9 mt -61.83 -48.53 88.2 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.216 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.908 179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.3 mp -62.77 -38.6 91.24 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 120.505 -0.478 . . . . 0.0 110.181 179.305 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.458 ' CD1' ' O ' ' A' ' 66' ' ' VAL . 16.7 m0 -60.18 -38.12 82.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.779 -179.067 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.62 -52.98 58.12 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.141 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.462 ' OD1' ' NE ' ' A' ' 76' ' ' ARG . 51.4 t0 -64.46 -45.19 88.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.932 -179.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.699 ' OH ' HG22 ' A' ' 87' ' ' VAL . 86.5 t80 -62.59 -45.0 94.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.741 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -63.09 -37.53 87.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.976 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -59.99 -52.94 63.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.637 -178.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.462 ' NE ' ' OD1' ' A' ' 72' ' ' ASP . 0.6 OUTLIER -67.6 -39.6 84.79 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.562 -0.29 . . . . 0.0 110.584 179.685 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.67 -50.4 63.32 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.32 -179.26 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.89 -36.44 67.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.771 179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 75.0 tttt -56.4 -38.82 72.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.698 -179.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 90.4 p -64.57 -18.75 65.16 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.508 -179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 78.28 4.16 86.44 Favored Glycine 0 CA--C 1.522 0.476 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -142.16 69.96 22.82 Favored Pre-proline 0 C--N 1.326 -0.424 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.624 ' O ' HG23 ' A' ' 87' ' ' VAL . 10.8 Cg_endo -52.12 -45.67 37.59 Favored 'Trans proline' 0 N--CA 1.496 1.655 0 C-N-CA 121.808 1.672 . . . . 0.0 112.443 -178.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.75 -47.2 81.99 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.237 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -65.63 -38.43 94.6 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.67 -0.972 . . . . 0.0 110.67 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 32.5 t80 -63.42 -39.98 95.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.939 0.399 . . . . 0.0 110.363 -179.636 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.699 HG22 ' OH ' ' A' ' 73' ' ' TYR . 70.9 t -62.55 -46.02 97.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.771 -0.371 . . . . 0.0 110.977 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -49.7 -21.55 1.1 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.917 0.389 . . . . 0.0 110.351 -179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -88.34 -29.26 20.44 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.335 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 6.6 p -106.6 34.56 3.34 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.206 0.527 . . . . 0.0 110.929 -178.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 85.8 mt -61.97 -22.42 65.63 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.4 179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -89.83 -2.32 58.19 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.769 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -102.45 -27.76 12.6 Favored 'General case' 0 N--CA 1.469 0.488 0 N-CA-C 110.097 -0.335 . . . . 0.0 110.097 179.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.542 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 42.6 mm -59.58 -36.56 41.46 Favored Pre-proline 0 CA--C 1.536 0.411 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.683 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 37.0 Cg_exo -59.41 -30.43 92.64 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.188 1.926 . . . . 0.0 111.705 -179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.7 -41.95 71.29 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.001 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 ' O ' ' C ' ' A' ' 98' ' ' VAL . 40.4 mt -66.43 -34.61 78.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.074 -179.772 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.416 ' C ' ' O ' ' A' ' 97' ' ' LEU . 45.2 t -34.18 101.39 0.2 Allowed Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 123.292 0.37 . . . . 0.0 110.838 -178.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -75.67 153.83 38.93 Favored 'Trans proline' 0 N--CA 1.489 1.247 0 C-N-CA 121.617 1.545 . . . . 0.0 112.039 -179.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.44 -24.54 60.5 Favored 'General case' 0 CA--C 1.518 -0.256 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.421 -179.501 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -57.14 -42.34 93.16 Favored Glycine 0 CA--C 1.527 0.843 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -63.29 -48.72 76.92 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-O 121.168 0.509 . . . . 0.0 110.191 -179.761 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 18.9 mt -63.11 -40.66 98.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.057 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.39 -39.77 91.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.74 -47.05 86.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.013 0.435 . . . . 0.0 110.509 -179.801 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.35 -43.63 91.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.417 179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -58.84 -44.18 90.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.374 -179.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.81 -46.45 94.05 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.42 -1.072 . . . . 0.0 110.42 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.554 ' CE1' HD11 ' A' ' 113' ' ' LEU . 13.4 t-80 -66.07 -41.47 90.72 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.968 0.413 . . . . 0.0 110.226 179.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.481 HD23 HG22 ' A' ' 119' ' ' VAL . 49.3 tp -55.68 -54.14 47.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.25 -178.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.51 91.35 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.595 -0.442 . . . . 0.0 110.226 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 114' ' ' GLY . . . -51.85 -32.36 33.45 Favored Glycine 0 CA--C 1.521 0.436 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 109' ' ' HIS . 97.1 mt -76.72 15.5 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.427 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . 0.404 ' H ' ' C ' ' A' ' 112' ' ' GLY . . . 67.23 44.72 85.46 Favored Glycine 0 CA--C 1.521 0.428 0 N-CA-C 110.45 -1.06 . . . . 0.0 110.45 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 87.2 mt -126.23 156.84 39.63 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 120.802 0.334 . . . . 0.0 110.862 -179.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -148.71 -34.97 0.2 Allowed 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.64 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 42.3 mtm105 -63.48 -37.51 87.59 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.561 -179.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.572 HD22 ' N ' ' A' ' 118' ' ' LEU . 3.9 mm? -64.34 -31.65 72.95 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.072 0.463 . . . . 0.0 110.382 179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.481 HG22 HD23 ' A' ' 110' ' ' LEU . 56.6 t -58.37 -30.82 41.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.339 -179.232 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -60.59 -41.44 94.72 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.098 -179.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.9 mp -63.76 -39.96 95.54 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.469 -0.567 . . . . 0.0 109.469 179.278 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -60.12 -43.56 95.56 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' A' ' 123' ' ' ARG . 38.6 ttp-105 -60.87 -43.7 98.04 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.015 0.436 . . . . 0.0 110.378 179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -60.52 -41.78 95.09 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.013 -0.539 . . . . 0.0 109.944 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 10.6 tp -58.16 -40.17 80.71 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.755 -0.378 . . . . 0.0 110.7 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -55.28 -29.74 58.75 Favored 'General case' 0 N--CA 1.466 0.333 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.688 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 44.4 mm -60.53 -47.59 92.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 120.937 0.399 . . . . 0.0 110.321 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 24.4 mt -63.23 -39.68 95.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.563 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -62.73 -39.78 95.16 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.472 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -60.15 -42.49 90.33 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.264 0 N-CA-C 109.452 -0.574 . . . . 0.0 109.452 -179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 40.0 mm -61.44 -45.18 99.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.447 -178.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 15.2 t -62.5 -44.82 95.45 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.806 179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 52.6 ttt180 -70.16 -40.27 74.82 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.391 -179.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -59.22 -28.16 63.86 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 18.2 m -56.68 -34.07 67.04 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.004 0.43 . . . . 0.0 110.288 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 23.2 tttm -63.82 -39.93 95.39 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 -179.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.13 -46.29 88.73 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.705 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 82.9 mt -63.02 -43.66 98.1 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.194 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 96.2 p -64.14 -43.56 94.84 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.736 -0.385 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -51.07 69.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.479 -179.469 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 37.6 mm -65.96 -42.52 91.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.05 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -54.18 -50.24 67.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.317 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -68.64 -46.73 68.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -63.73 -41.04 98.12 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.024 -179.362 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -64.53 -40.83 96.34 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.371 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.5 ' O ' HG12 ' A' ' 149' ' ' VAL . 14.6 m-20 -66.3 -38.72 88.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.314 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -77.52 -42.82 34.17 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.498 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.55 ' C ' HG13 ' A' ' 149' ' ' VAL . 94.1 mt -80.38 -54.58 5.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.766 -178.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.55 HG13 ' C ' ' A' ' 148' ' ' LEU . 2.0 m 54.21 157.68 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.434 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.494 178.58 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.84 97.35 0.47 Allowed 'Trans proline' 0 N--CA 1.492 1.407 0 C-N-CA 122.007 1.805 . . . . 0.0 110.842 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.127 -0.939 . . . . 0.0 110.663 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.432 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.1 mm? . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 77.4 mtp85 -78.44 152.61 32.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.776 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.05 -80.77 0.03 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.614 -0.994 . . . . 0.0 110.614 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 95.6 mt 54.87 -98.22 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.315 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.2 t 55.91 168.74 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.631 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 88.3 m-20 56.26 35.07 25.17 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.746 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.456 HD13 ' C ' ' A' ' 11' ' ' LEU . 0.3 OUTLIER -66.04 -65.74 0.64 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.955 0.407 . . . . 0.0 110.972 -179.58 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -63.66 -37.19 94.35 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 111.337 -0.705 . . . . 0.0 111.337 -178.639 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -60.31 -43.1 98.92 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 37.5 ttp180 -64.29 -42.35 96.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.578 0.228 . . . . 0.0 111.351 179.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 38.1 t -73.41 65.85 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 121.215 0.531 . . . . 0.0 110.611 -179.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 57.6 mtp85 -148.45 -58.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.452 -0.795 . . . . 0.0 109.67 179.109 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -68.44 -21.45 64.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.933 179.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 90.8 mt -61.28 -25.34 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.844 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -45.37 -63.23 2.79 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 119.823 -1.18 . . . . 0.0 111.442 -178.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -87.95 -35.87 17.41 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 117.014 0.407 . . . . 0.0 111.338 179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.542 ' O ' HG12 ' A' ' 21' ' ' VAL . 95.2 t -63.24 -3.99 1.16 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.36 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.347 -178.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 9.4 tpt -91.01 -41.59 11.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 178.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 74.5 mt-10 -107.09 15.39 25.28 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.177 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 3.8 p80 -45.19 143.38 2.56 Favored Pre-proline 0 CA--C 1.542 0.673 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.064 -179.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_exo -48.06 -37.29 30.02 Favored 'Trans proline' 0 N--CA 1.501 1.967 0 C-N-CA 121.873 1.715 . . . . 0.0 112.72 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 30' ' ' GLY . 6.0 tp -60.02 -26.66 66.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.608 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' O ' HG23 ' A' ' 31' ' ' VAL . 0.4 OUTLIER -60.48 -42.05 89.82 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.125 -179.538 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 60.2 mm-40 -69.74 -61.21 1.87 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.48 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 29' ' ' LEU . 3.5 mm? -65.01 -42.17 94.7 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.384 -179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -59.68 -50.6 66.01 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 121.235 -0.507 . . . . 0.0 112.112 -179.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 27' ' ' VAL . 84.1 t -64.22 -44.35 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.372 -179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.0 m -60.16 -44.31 95.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.643 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -65.41 -41.7 93.31 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.226 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.94 -40.61 89.54 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.55 -0.46 . . . . 0.0 110.336 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.408 ' O ' ' OG ' ' A' ' 38' ' ' SER . . . -59.29 -49.08 79.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.157 179.316 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.418 HD21 ' CE1' ' A' ' 137' ' ' PHE . 5.9 mt -65.14 -42.53 93.72 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.703 179.069 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.556 ' O ' HG23 ' A' ' 41' ' ' VAL . 82.5 mt -73.49 -23.83 60.1 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.877 0.37 . . . . 0.0 110.648 -179.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 35' ' ' ALA . 36.6 p -76.49 -48.68 18.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.621 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.442 HG13 ' N ' ' A' ' 40' ' ' ILE . 11.4 p -64.54 -41.72 93.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.37 0 CA-C-O 120.78 0.324 . . . . 0.0 111.07 -179.286 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.542 ' O ' HG23 ' A' ' 44' ' ' VAL . 3.7 tp -69.26 -35.93 70.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.459 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 37' ' ' LEU . 2.3 t -59.2 -48.54 86.55 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.778 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 m -65.5 -37.8 80.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.385 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.526 ' O ' HG22 ' A' ' 47' ' ' THR . 56.4 t -61.54 -44.3 98.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 C-N-CA 120.853 -0.339 . . . . 0.0 110.353 179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.542 HG23 ' O ' ' A' ' 40' ' ' ILE . 83.7 t -59.4 -45.31 93.61 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-O 120.569 0.223 . . . . 0.0 110.527 -179.167 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -65.74 -40.14 91.82 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.556 -0.458 . . . . 0.0 109.777 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.427 ' CE1' HD11 ' A' ' 127' ' ' ILE . 43.4 t80 -61.35 -50.06 74.43 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.684 -179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.633 HG23 ' N ' ' A' ' 48' ' ' MET . 8.8 t -78.77 -52.09 8.85 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.843 0.354 . . . . 0.0 111.621 -179.082 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.633 ' N ' HG23 ' A' ' 47' ' ' THR . 1.2 ttp -111.95 154.78 24.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.587 -179.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.462 ' O ' ' O ' ' A' ' 50' ' ' LEU . 19.4 mm100 -113.24 -0.46 14.59 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.09 0.472 . . . . 0.0 110.816 -179.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.462 ' O ' ' O ' ' A' ' 49' ' ' GLN . 39.6 mt 45.48 -177.31 0.01 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.185 -0.916 . . . . 0.0 110.532 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 66.4 m -85.81 163.11 18.34 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.394 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.73 -42.22 58.71 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.406 -0.678 . . . . 0.0 111.406 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -62.58 -56.33 18.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.056 0.455 . . . . 0.0 110.968 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -66.0 -31.31 72.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.556 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 54.0 tp -61.19 -45.68 93.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.564 -179.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.7 t -63.68 -44.97 98.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.044 0.449 . . . . 0.0 110.095 179.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -58.92 -43.45 91.1 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.555 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 10.1 tp -61.38 -43.29 99.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.574 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -60.96 -42.15 97.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.53 -0.304 . . . . 0.0 110.525 179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.6 tp -62.52 -43.64 98.32 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.173 0.511 . . . . 0.0 110.412 -179.452 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 50.6 t -61.88 -45.5 98.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.003 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.449 ' OD1' ' O ' ' A' ' 58' ' ' LEU . 4.0 m-20 -53.71 -41.19 66.71 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.909 0.385 . . . . 0.0 110.355 -179.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 96.2 mt -62.16 -42.5 99.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 6.1 mm -63.38 -42.72 97.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.653 -179.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -60.72 -40.73 93.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.478 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 96.3 t -64.19 -41.68 93.17 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.202 0 CA-C-O 120.794 0.33 . . . . 0.0 110.227 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 91.2 mt -60.52 -41.88 89.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.937 -0.305 . . . . 0.0 110.659 -179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.9 mt -60.69 -45.14 98.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 C-N-CA 120.392 -0.523 . . . . 0.0 110.211 -179.262 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.0 mt -65.99 -38.06 87.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.899 0.38 . . . . 0.0 110.525 179.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.478 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 12.4 m0 -58.52 -32.75 69.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.647 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -51.32 -53.17 38.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.276 -179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 73' ' ' TYR . 2.0 p30 -70.44 -45.05 66.59 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.701 -179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.426 ' N ' ' OD1' ' A' ' 72' ' ' ASP . 6.9 t80 -60.62 -48.95 79.5 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.042 -179.809 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -66.4 -45.86 78.56 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.941 -178.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 -60.11 -47.86 84.14 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.553 -178.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -62.29 -39.89 94.46 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 121.064 -0.254 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.88 -49.96 61.94 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.428 -0.509 . . . . 0.0 110.043 -179.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -74.59 -40.47 61.57 Favored 'General case' 0 CA--C 1.531 0.238 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.458 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 12.9 tptt -58.8 -37.2 75.82 Favored 'General case' 0 CA--C 1.532 0.281 0 C-N-CA 120.764 -0.375 . . . . 0.0 110.433 -179.159 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 7.0 t -59.7 -21.23 60.33 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.631 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 79.76 3.6 89.18 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.666 -0.973 . . . . 0.0 110.666 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 60.8 t0 -147.91 74.17 11.17 Favored Pre-proline 0 C--N 1.328 -0.36 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.474 ' O ' HG23 ' A' ' 87' ' ' VAL . 51.8 Cg_exo -52.61 -41.78 66.42 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.555 2.17 . . . . 0.0 112.027 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.74 -46.52 90.14 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.662 -0.415 . . . . 0.0 110.332 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -67.05 -44.51 87.97 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.525 -1.03 . . . . 0.0 110.525 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.651 ' O ' HG22 ' A' ' 90' ' ' THR . 30.9 t80 -61.18 -40.96 95.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.464 0.65 . . . . 0.0 109.748 179.691 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 83' ' ' PRO . 54.7 t -67.81 -44.51 85.49 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 C-N-CA 120.351 -0.54 . . . . 0.0 111.559 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 42.0 mtmt -65.64 -19.14 65.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.572 -179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 86' ' ' TYR . 0.0 OUTLIER -92.03 -23.64 19.45 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 120.044 -0.663 . . . . 0.0 111.712 -178.537 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.651 HG22 ' O ' ' A' ' 86' ' ' TYR . 9.9 t -107.56 36.23 2.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.574 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 95.0 mt -74.58 -17.45 60.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.613 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 6.7 p90 -90.82 -7.69 51.63 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 116.51 -0.314 . . . . 0.0 110.389 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 76.6 tt0 -103.88 -31.97 9.52 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.93 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.538 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 65.6 mt -61.2 -39.26 62.04 Favored Pre-proline 0 CA--C 1.543 0.693 0 C-N-CA 120.792 -0.363 . . . . 0.0 111.483 179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.538 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 73.6 Cg_exo -50.1 -28.22 18.95 Favored 'Trans proline' 0 N--CA 1.495 1.566 0 C-N-CA 122.282 1.988 . . . . 0.0 111.903 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.403 ' HB1' ' HE ' ' A' ' 133' ' ' ARG . . . -83.58 -30.94 26.59 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.861 0.363 . . . . 0.0 110.817 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 89.0 mt -74.81 -16.85 60.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.802 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 73.1 t -40.0 116.82 1.23 Allowed Pre-proline 0 CA--C 1.541 0.622 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.748 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.58 133.31 14.16 Favored 'Trans proline' 0 N--CA 1.495 1.592 0 C-N-CA 121.72 1.613 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -59.23 -30.26 68.12 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.371 179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -58.15 -42.98 95.51 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.69 -0.964 . . . . 0.0 110.69 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 65.6 tp -65.53 -44.4 87.03 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.186 0.517 . . . . 0.0 109.823 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.57 -40.48 95.64 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.481 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -55.0 -48.8 72.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.043 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 13.9 mt -63.0 -42.54 99.88 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.354 -179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.34 -43.78 97.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.296 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -61.5 -38.61 87.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.359 -179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -62.2 -43.55 98.96 Favored Glycine 0 CA--C 1.527 0.789 0 N-CA-C 111.281 -0.728 . . . . 0.0 111.281 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . 0.411 ' CE1' HD11 ' A' ' 113' ' ' LEU . 12.3 t-80 -62.3 -47.42 84.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.031 0.443 . . . . 0.0 110.62 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 89.1 mt -64.21 -41.72 96.92 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.32 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -63.11 -40.33 97.32 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.814 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -63.71 -33.75 88.08 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.772 -0.931 . . . . 0.0 110.772 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.411 HD11 ' CE1' ' A' ' 109' ' ' HIS . 64.8 mt -76.13 -7.43 54.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.639 0.257 . . . . 0.0 110.646 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 77.79 20.86 72.93 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 84.6 mt -87.62 64.08 7.89 Favored 'General case' 0 C--O 1.239 0.503 0 CA-C-O 121.303 0.573 . . . . 0.0 110.288 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.5 m-85 -57.9 -27.07 62.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.242 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 78.3 mtp85 -59.53 -45.89 90.46 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.079 0.466 . . . . 0.0 110.059 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 40.7 mt -65.57 -38.1 88.57 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.745 179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.47 -42.55 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.086 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.37 -45.23 94.25 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.116 0.484 . . . . 0.0 109.955 -179.593 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 10.5 mp -62.37 -37.54 86.14 Favored 'General case' 0 C--O 1.232 0.175 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 179.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.0 -38.83 87.44 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 76.3 ttt180 -59.44 -44.3 92.96 Favored 'General case' 0 C--O 1.238 0.475 0 CA-C-O 121.29 0.567 . . . . 0.0 109.851 179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -61.79 -40.24 94.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.24 179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 43.3 mt -59.14 -36.86 75.98 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 2.4 tpp180 -58.84 -43.23 90.67 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.09 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.427 HD11 ' CE1' ' A' ' 46' ' ' TYR . 36.5 mm -59.09 -44.33 91.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.528 -0.469 . . . . 0.0 110.113 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 10.9 mp -63.49 -32.76 74.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.21 179.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 21.0 tp -58.72 -46.9 86.32 Favored 'General case' 0 CA--C 1.53 0.208 0 C-N-CA 120.774 -0.371 . . . . 0.0 110.396 -179.082 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.473 ' N ' HD12 ' A' ' 130' ' ' ILE . 1.5 mp -63.45 -43.81 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 C-N-CA 120.531 -0.467 . . . . 0.0 110.303 179.279 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.1 -43.94 99.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.935 -179.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 78.2 p -60.92 -42.35 97.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.954 0.406 . . . . 0.0 110.399 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' HE ' ' HB1' ' A' ' 96' ' ' ALA . 38.3 ttm180 -75.43 -33.04 60.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.695 179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -58.72 -36.27 85.54 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 68.1 m -59.48 -44.54 93.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.961 0.41 . . . . 0.0 110.426 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 27.9 ttpp -65.07 -42.72 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.276 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . 0.418 ' CE1' HD21 ' A' ' 36' ' ' LEU . 33.9 t80 -60.03 -48.75 80.4 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.213 179.335 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 16.8 mt -61.73 -41.1 97.19 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.497 -0.481 . . . . 0.0 110.142 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 92.1 p -60.31 -43.78 96.03 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.651 -0.42 . . . . 0.0 110.913 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -62.11 -48.69 79.04 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.067 0.46 . . . . 0.0 111.101 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 39.5 mm -66.26 -41.06 88.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.126 179.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -51.15 -50.32 59.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.679 0.276 . . . . 0.0 110.925 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.57 -45.32 94.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.478 -0.328 . . . . 0.0 110.704 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -69.18 -38.33 78.63 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.846 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 149' ' ' VAL . . . -61.66 -26.32 67.94 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.21 -179.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -60.54 -37.11 80.14 Favored 'General case' 0 C--N 1.325 -0.475 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.125 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -102.4 -27.73 12.64 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.126 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.446 ' C ' HG23 ' A' ' 149' ' ' VAL . 10.6 mp -95.43 0.57 53.5 Favored 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.482 ' N ' ' O ' ' A' ' 145' ' ' ALA . 2.6 t 64.5 132.78 0.03 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.981 179.268 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -71.69 153.73 59.45 Favored 'Trans proline' 0 N--CA 1.496 1.647 0 C-N-CA 121.832 1.688 . . . . 0.0 112.312 179.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.22 -0.492 0 CA-C-O 118.053 -0.975 . . . . 0.0 110.773 -179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 57.7 tp . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 62.04 25.79 15.49 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.313 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.26 -11.81 71.69 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.557 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.9 mm? -72.62 156.8 38.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.927 0.394 . . . . 0.0 110.658 -179.824 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.438 ' O ' ' O ' ' A' ' 8' ' ' LEU . 0.8 OUTLIER 58.09 116.4 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.816 -179.6 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 10' ' ' ASP . 10.3 p-10 -95.53 140.49 30.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.339 179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.89 -79.29 0.6 Allowed 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.917 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 84.13 99.58 0.6 Allowed Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.466 -1.054 . . . . 0.0 110.466 -179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -53.9 -24.16 25.73 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -87.83 3.91 46.5 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG12 ' O ' ' A' ' 15' ' ' VAL . 43.6 t -130.87 -9.69 2.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 120.8 0.333 . . . . 0.0 110.517 -179.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 45.2 mtm180 -62.76 -86.15 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.095 0.474 . . . . 0.0 110.934 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 56.3 m-80 -62.67 -39.63 94.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.691 -179.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' MET . 96.5 mt -63.74 -45.66 96.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.718 -179.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -61.87 -35.79 91.85 Favored Glycine 0 CA--C 1.521 0.414 0 C-N-CA 120.588 -0.815 . . . . 0.0 111.237 -179.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -83.38 -50.99 7.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.003 0.43 . . . . 0.0 111.386 -179.799 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 85.3 t -63.2 -46.03 96.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.96 -179.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.424 ' CB ' ' O ' ' A' ' 18' ' ' ILE . 10.2 tpt -60.79 -22.09 63.76 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.474 -179.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -112.55 27.22 9.82 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 121.264 0.554 . . . . 0.0 110.397 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.608 ' CE1' ' N ' ' A' ' 27' ' ' VAL . 9.6 p80 -49.35 148.87 4.24 Favored Pre-proline 0 C--N 1.319 -0.728 0 C-N-CA 120.259 -0.576 . . . . 0.0 110.626 -179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 77.2 Cg_exo -42.97 -35.08 4.22 Favored 'Trans proline' 0 N--CA 1.498 1.782 0 C-N-CA 122.464 2.11 . . . . 0.0 112.634 179.365 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' HB2' ' ND1' ' A' ' 24' ' ' HIS . 9.2 mp -62.14 -30.54 71.11 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.404 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.608 ' N ' ' CE1' ' A' ' 24' ' ' HIS . 0.4 OUTLIER -61.06 -46.79 95.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 C-N-CA 119.951 -0.7 . . . . 0.0 109.531 -179.163 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.405 ' N ' ' CG1' ' A' ' 27' ' ' VAL . 95.3 mt-10 -59.97 -51.23 70.55 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.133 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.542 HD22 ' N ' ' A' ' 29' ' ' LEU . 4.1 mm? -68.86 -41.26 78.69 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.071 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.44 -50.29 69.22 Favored Glycine 0 CA--C 1.522 0.51 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 -179.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 49.4 t -61.46 -44.83 99.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.924 0.392 . . . . 0.0 109.999 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.7 m -61.05 -43.01 99.52 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.566 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -58.19 -45.57 87.34 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.198 0.523 . . . . 0.0 110.776 -179.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.67 -37.22 78.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.439 -179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.406 ' O ' HG23 ' A' ' 39' ' ' VAL . . . -61.19 -40.96 95.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.642 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -61.85 -45.04 95.51 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.01 -179.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 43.3 mt -62.01 -40.82 97.0 Favored 'General case' 0 C--N 1.317 -0.806 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.283 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 42' ' ' VAL . 11.8 t -61.92 -40.42 95.41 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.932 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' O ' HG23 ' A' ' 43' ' ' VAL . 53.1 t -58.66 -45.62 90.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.552 -179.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 44' ' ' VAL . 46.8 mm -61.95 -42.78 96.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.183 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 67.0 t -60.89 -47.09 94.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.901 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 38' ' ' SER . 58.3 t -66.05 -47.13 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.241 -178.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.459 ' O ' HG22 ' A' ' 47' ' ' THR . 74.6 t -60.41 -45.27 96.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 C-N-CA 120.81 -0.356 . . . . 0.0 110.67 -178.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 48' ' ' MET . 52.0 t -59.7 -46.19 93.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 C-N-CA 120.829 -0.348 . . . . 0.0 110.328 -179.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -67.99 -38.03 82.18 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.403 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -62.19 -46.16 90.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.925 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.562 HG23 ' N ' ' A' ' 48' ' ' MET . 13.6 t -87.82 -46.62 9.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.06 0.457 . . . . 0.0 111.163 -179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.562 ' N ' HG23 ' A' ' 47' ' ' THR . 0.0 OUTLIER -102.35 159.85 15.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.378 -179.798 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' O ' ' O ' ' A' ' 50' ' ' LEU . 83.0 mt-30 -119.4 -1.89 10.67 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.21 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' O ' ' O ' ' A' ' 49' ' ' GLN . 64.9 mt 40.99 -164.78 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.222 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.7 p -101.77 168.09 9.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.51 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.68 -52.61 40.93 Favored Glycine 0 CA--C 1.526 0.743 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.728 -179.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -57.85 -46.15 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.982 0.42 . . . . 0.0 110.932 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -68.12 -35.25 77.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.407 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 tp -62.11 -43.22 99.31 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.432 -179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.78 -48.36 89.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 121.231 0.539 . . . . 0.0 110.203 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -61.67 -38.68 88.66 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.54 -41.08 98.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.987 -179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -59.76 -41.38 90.91 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.237 -179.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.74 -45.18 91.06 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.34 0.59 . . . . 0.0 110.414 -179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 54.3 t -61.07 -47.64 92.68 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.266 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.993 179.582 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -52.39 -40.92 62.66 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.695 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 11.4 tp -66.38 -43.84 84.79 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.229 -179.455 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 96.5 mt -55.15 -35.07 34.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.988 0.423 . . . . 0.0 110.963 -179.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.408 HD23 ' O ' ' A' ' 61' ' ' VAL . 3.2 mm? -60.59 -41.02 93.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.241 -179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.571 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.1 t -64.48 -39.12 84.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.002 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.923 179.293 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 46.5 mm -58.4 -42.98 85.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.464 -179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 95.7 mt -62.38 -43.82 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.147 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 78.9 mt -68.58 -34.9 76.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.44 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.571 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 10.1 m0 -63.87 -30.05 71.17 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.624 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.95 -53.52 51.62 Favored 'General case' 0 C--N 1.324 -0.503 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.84 -179.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.65 -45.57 64.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.959 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 33.5 t80 -62.6 -43.51 98.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.788 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -62.9 -44.99 94.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.951 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 8.5 t80 -60.66 -45.44 94.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.346 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.5 -40.93 98.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.949 0.404 . . . . 0.0 110.476 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -52.35 -55.31 22.43 Favored 'General case' 0 C--N 1.322 -0.588 0 C-N-CA 120.489 -0.484 . . . . 0.0 110.372 -179.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.7 m-85 -61.64 -37.55 84.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.573 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 58.2 tttm -55.72 -37.21 68.12 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.445 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.5 t -68.67 -17.38 64.08 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.775 0.322 . . . . 0.0 110.721 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 75.72 4.64 76.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -149.38 76.35 9.26 Favored Pre-proline 0 C--N 1.328 -0.344 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.524 ' O ' HG23 ' A' ' 87' ' ' VAL . 15.4 Cg_endo -54.96 -41.24 80.62 Favored 'Trans proline' 0 N--CA 1.498 1.793 0 C-N-CA 122.3 2.0 . . . . 0.0 112.61 -179.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.68 -49.37 75.38 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.169 0.509 . . . . 0.0 110.777 -179.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -68.02 -34.7 82.37 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.739 -0.945 . . . . 0.0 110.739 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -61.63 -42.99 99.67 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-O 121.233 0.539 . . . . 0.0 110.219 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 83' ' ' PRO . 79.9 t -64.06 -44.59 97.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.571 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -55.57 -18.84 8.34 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.409 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -91.09 -29.35 17.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 77.2 p -98.63 34.35 2.06 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.629 -178.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 58.2 mt -61.43 -23.99 66.22 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.4 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 8.9 p90 -87.95 -21.73 24.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.576 179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -102.8 -0.76 30.95 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.929 0.395 . . . . 0.0 110.36 -179.692 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.599 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.0 OUTLIER -72.6 -41.9 7.88 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.284 179.117 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.599 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 50.4 Cg_exo -50.98 -42.4 52.57 Favored 'Trans proline' 0 N--CA 1.494 1.542 0 C-N-CA 121.986 1.791 . . . . 0.0 112.429 -177.403 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . 0.412 ' HB1' ' NH2' ' A' ' 133' ' ' ARG . . . -62.28 -25.05 67.64 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.271 -179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 6.1 mt -102.97 33.68 3.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.197 -178.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 34.3 t -100.35 105.88 39.0 Favored Pre-proline 0 CA--C 1.539 0.539 0 C-N-CA 120.827 -0.349 . . . . 0.0 110.121 179.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 62.1 Cg_endo -74.73 144.7 31.64 Favored 'Trans proline' 0 N--CA 1.49 1.276 0 C-N-CA 122.254 1.969 . . . . 0.0 112.242 179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -55.19 -18.62 6.2 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.296 179.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -51.05 -50.23 39.83 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.938 -0.865 . . . . 0.0 110.938 -179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -64.66 -46.65 81.6 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 103' ' ' LEU . 10.3 mp -64.52 -39.96 94.73 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.322 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.49 -47.99 80.43 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.438 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 24.2 mt -63.84 -45.31 90.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.699 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.63 -48.93 80.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.68 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -59.33 -37.92 79.02 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.558 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -59.29 -53.81 43.1 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.728 -0.949 . . . . 0.0 110.728 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -67.55 -37.02 82.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.098 0.475 . . . . 0.0 110.204 179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.626 HD11 ' HB3' ' A' ' 118' ' ' LEU . 14.7 tp -57.48 -46.23 83.93 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.264 -178.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.7 -27.77 40.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.596 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -51.77 -40.71 49.57 Favored Glycine 0 CA--C 1.52 0.391 0 N-CA-C 110.583 -1.007 . . . . 0.0 110.583 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.3 mt -84.05 -13.54 52.87 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.901 -0.319 . . . . 0.0 110.643 179.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 83.18 30.77 30.12 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.137 -0.785 . . . . 0.0 111.137 179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 20.3 mt -82.18 74.02 9.18 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.717 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -62.23 -41.15 98.15 Favored 'General case' 0 N--CA 1.465 0.285 0 CA-C-O 121.282 0.563 . . . . 0.0 111.089 -179.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -32.09 67.12 Favored 'General case' 0 C--N 1.316 -0.883 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.684 -179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.626 ' HB3' HD11 ' A' ' 110' ' ' LEU . 1.0 OUTLIER -82.39 -27.02 32.32 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.62 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.5 t -60.63 -41.28 87.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.687 179.47 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 71.6 mtm180 -55.91 -48.35 75.82 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.28 -179.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.494 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.3 mp -64.99 -36.94 86.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.722 178.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.553 HD13 ' O ' ' A' ' 122' ' ' LEU . 0.3 OUTLIER -62.15 -47.53 84.15 Favored 'General case' 0 C--N 1.324 -0.543 0 C-N-CA 120.415 -0.514 . . . . 0.0 110.293 -179.318 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 19.8 ttp180 -63.25 -27.77 69.57 Favored 'General case' 0 C--N 1.319 -0.761 0 C-N-CA 119.95 -0.7 . . . . 0.0 110.639 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -54.31 -30.41 50.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.55 HD22 ' N ' ' A' ' 125' ' ' LEU . 3.9 mm? -62.64 -38.62 90.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.007 0.432 . . . . 0.0 110.28 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 10.1 mtt180 -61.02 -39.78 91.03 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.419 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.574 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.7 mp -61.98 -44.76 99.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.372 -0.531 . . . . 0.0 109.831 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.23 -35.65 81.52 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.492 -179.363 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.604 HD23 ' O ' ' A' ' 129' ' ' LEU . 1.9 tt -60.56 -42.65 97.03 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.865 -0.607 . . . . 0.0 109.763 -178.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 3.2 mm -63.52 -42.21 95.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.037 179.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 6.0 mm -60.05 -46.72 93.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 C-N-CA 120.153 -0.619 . . . . 0.0 110.328 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 9.2 t -63.29 -47.25 83.09 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.341 0.591 . . . . 0.0 110.71 179.543 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.434 HH22 ' HE3' ' A' ' 136' ' ' LYS . 0.5 OUTLIER -63.29 -43.19 98.59 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.618 -179.768 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -61.56 -38.63 96.13 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.837 -0.905 . . . . 0.0 110.837 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 87.0 p -60.56 -43.2 97.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.696 0.284 . . . . 0.0 110.37 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.434 ' HE3' HH22 ' A' ' 133' ' ' ARG . 17.8 ttmm -62.67 -45.39 93.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.155 -179.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.24 -51.37 63.99 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.526 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.69 -44.87 96.11 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.711 -178.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 45.2 t -63.29 -43.54 97.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.862 -179.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.76 -59.76 4.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.134 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' A' ' 145' ' ' ALA . 33.1 mm -65.56 -43.8 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.427 -178.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -52.5 -50.81 62.03 Favored 'General case' 0 C--O 1.237 0.446 0 CA-C-O 121.146 0.498 . . . . 0.0 111.012 -179.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -60.19 -42.53 95.24 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.556 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -77.37 -22.29 51.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.681 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . 0.54 ' N ' ' O ' ' A' ' 141' ' ' ILE . . . -61.87 -36.87 82.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.169 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -61.65 -37.81 85.39 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.581 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -79.68 -39.08 32.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.543 -179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 9.6 mp -77.97 -59.21 2.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.966 -179.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . . . . . . . . . 13.0 t 55.41 73.17 0.9 Allowed Pre-proline 0 C--N 1.325 -0.492 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.467 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . 0.431 ' O ' ' HB2' ' A' ' 151' ' ' ARG . 48.5 Cg_exo -51.65 -79.37 0.02 OUTLIER 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.569 2.179 . . . . 0.0 111.679 179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 150' ' ' PRO . 31.3 ttt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.176 -0.916 . . . . 0.0 110.063 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.538 HD22 ' N ' ' A' ' 5' ' ' LEU . 4.0 mm? . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 36.1 ttm180 -119.39 130.05 55.11 Favored 'General case' 0 N--CA 1.468 0.429 0 CA-C-O 120.949 0.404 . . . . 0.0 110.729 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.48 -142.52 47.95 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 110.319 -1.112 . . . . 0.0 110.319 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 54.6 tp -106.69 -44.35 4.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.737 0.303 . . . . 0.0 110.557 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.411 ' O ' ' N ' ' A' ' 11' ' ' LEU . 5.5 m -152.05 43.31 0.7 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.66 -179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.4 t0 67.01 -67.67 0.16 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.516 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 9' ' ' SER . 0.4 OUTLIER -148.27 90.4 1.81 Allowed 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.686 179.697 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -68.14 163.54 48.09 Favored Glycine 0 CA--C 1.529 0.911 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -61.8 -38.46 95.99 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.453 -1.059 . . . . 0.0 110.453 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 14' ' ' ARG . 40.8 mtm105 -65.78 -33.64 76.32 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.694 0.283 . . . . 0.0 110.248 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 56.1 t -60.77 -47.07 94.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.573 -178.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 79.1 mtp180 -63.66 -44.15 94.65 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.356 -0.538 . . . . 0.0 110.6 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.74 -48.34 79.65 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.131 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.649 ' O ' ' N ' ' A' ' 22' ' ' MET . 25.7 mm -64.81 -44.69 96.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.758 0 C-N-CA 120.583 -0.447 . . . . 0.0 109.87 179.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -46.11 -50.2 12.93 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 120.239 -0.982 . . . . 0.0 111.235 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -76.04 -45.14 35.82 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.559 -0.456 . . . . 0.0 111.139 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.572 ' O ' HG12 ' A' ' 21' ' ' VAL . 81.0 t -77.48 -1.21 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.457 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.649 ' N ' ' O ' ' A' ' 18' ' ' ILE . 11.0 tpt -65.22 -42.84 93.03 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.436 -179.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -101.1 13.27 35.7 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-O 120.956 0.408 . . . . 0.0 110.772 -178.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.512 ' CD2' ' O ' ' A' ' 21' ' ' VAL . 0.3 OUTLIER -44.14 150.35 0.62 Allowed Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.177 179.271 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 11.0 Cg_endo -51.5 -17.84 5.0 Favored 'Trans proline' 0 N--CA 1.502 1.984 0 C-N-CA 122.176 1.917 . . . . 0.0 112.572 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.531 ' O ' ' N ' ' A' ' 30' ' ' GLY . 3.8 mm? -70.95 -27.84 64.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.758 179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.506 HG21 ' O ' ' A' ' 22' ' ' MET . 1.2 t -60.31 -47.17 93.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 50.3 mm-40 -65.76 -60.55 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.928 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -43.1 79.94 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 120.465 -0.494 . . . . 0.0 111.883 -178.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.531 ' N ' ' O ' ' A' ' 26' ' ' LEU . . . -60.84 -51.13 60.55 Favored Glycine 0 CA--C 1.525 0.68 0 C-N-CA 121.327 -0.463 . . . . 0.0 112.353 -179.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 27' ' ' VAL . 91.7 t -62.43 -47.29 93.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.299 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.2 p -63.84 -46.4 85.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.818 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.498 ' CE2' HD11 ' A' ' 37' ' ' LEU . 53.0 t80 -64.01 -46.1 86.02 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.098 -179.603 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.89 -48.38 81.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.947 -179.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.24 -37.72 86.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.301 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.622 ' O ' HG12 ' A' ' 39' ' ' VAL . 62.4 tp -58.08 -31.97 67.61 Favored 'General case' 0 C--O 1.225 -0.201 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.354 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 HD11 ' CE2' ' A' ' 33' ' ' TYR . 28.0 mt -88.69 -47.22 8.41 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 121.114 -0.234 . . . . 0.0 110.941 -179.49 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 83.3 p -48.13 -30.94 5.01 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.907 0.384 . . . . 0.0 110.746 -179.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 36' ' ' LEU . 8.8 p -60.66 -43.39 94.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.72 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.498 ' N ' HG13 ' A' ' 39' ' ' VAL . 1.5 tp -72.89 -31.9 37.89 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.266 0 CA-C-O 121.024 0.44 . . . . 0.0 110.646 -179.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 84.1 t -58.37 -43.69 86.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.577 -178.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.526 ' HB ' HD11 ' A' ' 130' ' ' ILE . 74.2 t -59.05 -46.63 91.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 C-N-CA 120.21 -0.596 . . . . 0.0 110.311 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 77.6 t -67.82 -42.92 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.239 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 40' ' ' ILE . 55.4 t -57.1 -30.87 35.55 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 CA-C-O 121.005 0.431 . . . . 0.0 110.595 -179.05 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.0 tt0 -53.66 -53.49 51.25 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 112.611 0.597 . . . . 0.0 112.611 -178.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -87.58 -57.29 3.0 Favored 'General case' 0 N--CA 1.472 0.653 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -178.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 HG22 ' HA ' ' A' ' 44' ' ' VAL . 2.0 t -44.58 -35.3 2.49 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.196 -179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.425 ' SD ' HD21 ' A' ' 50' ' ' LEU . 1.3 ttt -106.34 129.23 54.39 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.515 -179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -106.91 66.18 0.68 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.88 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.425 HD21 ' SD ' ' A' ' 48' ' ' MET . 70.1 mt -67.63 159.73 29.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.492 -179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 53.5 m -69.21 164.82 21.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.726 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.38 -50.09 48.76 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 111.922 -0.471 . . . . 0.0 111.922 -178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -56.65 -49.78 74.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.215 0.531 . . . . 0.0 110.102 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -65.73 -31.09 71.89 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.36 179.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.5 HD13 ' O ' ' A' ' 55' ' ' LEU . 0.2 OUTLIER -61.38 -44.53 97.0 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.182 0.515 . . . . 0.0 109.829 -179.161 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.54 -44.37 99.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.869 179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 5.6 ttm-85 -59.37 -41.27 88.93 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.978 -179.709 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.05 -42.83 99.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.997 0.427 . . . . 0.0 110.236 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -62.27 -34.46 76.59 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.11 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -62.61 -48.67 78.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.199 0.523 . . . . 0.0 110.105 -179.231 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 38.8 t -55.66 -43.61 73.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.562 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -61.0 -35.72 77.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.512 179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.94 -44.61 94.28 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.386 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.443 HD12 ' N ' ' A' ' 64' ' ' ILE . 1.7 mp -60.39 -43.29 93.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.89 0.376 . . . . 0.0 110.224 179.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.3 mt -61.41 -42.29 98.51 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 120.579 -0.448 . . . . 0.0 109.997 -179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.529 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 99.8 t -66.0 -40.95 88.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.286 179.288 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 74.4 mt -59.39 -42.07 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.178 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.163 179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 90.3 mt -60.68 -45.42 97.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 C-N-CA 120.533 -0.467 . . . . 0.0 109.968 -179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.6 mp -65.2 -38.81 91.65 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.043 178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 16.6 m0 -60.64 -31.55 70.74 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.601 -179.431 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -53.61 -54.34 39.0 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.07 -179.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.406 ' O ' ' NE ' ' A' ' 76' ' ' ARG . 37.7 m-20 -72.0 -44.97 62.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.347 . . . . 0.0 111.266 -179.456 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -60.31 -46.58 89.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.768 -179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -70.05 -44.19 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.708 -179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.497 ' CE1' HG21 ' A' ' 18' ' ' ILE . 79.6 t80 -55.98 -44.66 78.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.243 -178.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . 0.406 ' NE ' ' O ' ' A' ' 72' ' ' ASP . 0.4 OUTLIER -68.0 -39.24 83.27 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.529 179.556 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -55.08 -52.08 64.34 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.559 -0.292 . . . . 0.0 111.469 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 -64.06 -40.99 97.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.864 0.364 . . . . 0.0 110.49 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 60.7 mmtt -61.49 -33.08 73.17 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.675 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 38.9 p -65.06 -17.15 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.842 -0.343 . . . . 0.0 110.68 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 69.88 7.12 58.45 Favored Glycine 0 C--N 1.335 0.492 0 N-CA-C 110.629 -0.989 . . . . 0.0 110.629 179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -152.43 75.14 7.23 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 87' ' ' VAL . 18.9 Cg_endo -58.62 -32.41 96.67 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.485 1.457 . . . . 0.0 112.202 -179.02 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.77 74.76 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.418 -0.513 . . . . 0.0 110.661 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.98 -42.38 68.89 Favored Glycine 0 CA--C 1.522 0.499 0 N-CA-C 110.486 -1.046 . . . . 0.0 110.486 179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -58.52 -43.29 89.12 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 83' ' ' PRO . 55.8 t -68.07 -47.8 77.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 C-N-CA 120.536 -0.465 . . . . 0.0 111.686 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -58.6 -19.44 38.64 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.052 0.453 . . . . 0.0 110.018 -179.256 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt -84.34 -13.75 51.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.864 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.9 p -121.31 39.73 3.76 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 -179.275 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 75.3 mt -63.43 -20.37 65.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.552 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 22.4 p90 -79.69 -26.02 41.04 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.52 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 79.6 tt0 -93.11 -33.8 13.91 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.525 ' N ' ' HD2' ' A' ' 95' ' ' PRO . 6.8 mm -44.94 -54.37 13.49 Favored Pre-proline 0 CA--C 1.543 0.697 0 N-CA-C 110.145 -0.317 . . . . 0.0 110.145 178.569 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.525 ' HD2' ' N ' ' A' ' 94' ' ' ILE . 11.5 Cg_endo -51.56 -30.4 35.81 Favored 'Trans proline' 0 N--CA 1.496 1.631 0 C-N-CA 121.657 1.571 . . . . 0.0 111.848 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -70.31 -43.42 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 0.0 111.03 179.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 98' ' ' VAL . 43.3 mt -66.14 -36.19 82.48 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 97' ' ' LEU . 53.2 t -32.23 96.23 0.09 OUTLIER Pre-proline 0 N--CA 1.47 0.544 0 O-C-N 123.586 0.554 . . . . 0.0 111.123 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -57.3 148.18 72.42 Favored 'Trans proline' 0 N--CA 1.493 1.478 0 C-N-CA 122.081 1.854 . . . . 0.0 112.294 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -57.8 -31.42 66.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.0 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -62.81 -39.85 98.5 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.755 -0.938 . . . . 0.0 110.755 179.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.95 -50.34 73.81 Favored 'General case' 0 C--O 1.224 -0.252 0 C-N-CA 120.841 -0.343 . . . . 0.0 110.532 179.667 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 52.0 mt -63.38 -31.92 73.21 Favored 'General case' 0 C--N 1.317 -0.805 0 C-N-CA 120.435 -0.506 . . . . 0.0 110.191 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -56.93 -51.07 70.61 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.319 179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -63.48 -43.79 96.26 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.44 ' CD1' ' N ' ' A' ' 106' ' ' ILE . 1.2 mp -65.15 -43.78 95.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 110.065 -0.346 . . . . 0.0 110.065 179.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 45.7 tt0 -61.36 -37.75 84.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.251 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -63.2 -44.24 97.38 Favored Glycine 0 CA--C 1.527 0.82 0 N-CA-C 111.141 -0.784 . . . . 0.0 111.141 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -61.43 -44.93 96.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.81 0.338 . . . . 0.0 110.768 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 81.8 mt -63.57 -42.64 98.32 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.181 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -66.46 -39.03 88.61 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -59.86 -39.5 95.54 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 87.8 mt -71.66 -21.41 61.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.725 0.298 . . . . 0.0 110.553 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 95.03 39.53 4.54 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.093 -0.803 . . . . 0.0 111.093 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 69.8 mt -104.07 76.59 1.36 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.099 0.475 . . . . 0.0 110.181 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 76.6 m-85 -65.04 -33.95 77.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.376 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 117' ' ' ARG . 5.1 mmm180 -59.05 -47.64 84.49 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.711 -179.206 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 118' ' ' LEU . 4.0 mm? -63.59 -39.72 95.11 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 76.0 t -60.72 -44.31 96.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.68 179.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -62.2 -46.57 88.31 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.263 -179.486 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 9.9 mp -65.86 -35.56 80.99 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 179.057 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 10.0 tp -59.83 -43.37 94.59 Favored 'General case' 0 N--CA 1.449 -0.478 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 -179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.3 mtm180 -62.66 -42.47 99.63 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 119.713 -0.795 . . . . 0.0 110.341 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.57 -44.59 96.01 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 120.693 0.282 . . . . 0.0 110.959 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 59.7 tp -61.91 -40.4 95.35 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.382 -179.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.11 89.33 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.585 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 48.3 mm -65.01 -42.85 95.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.096 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.79 -38.49 85.48 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 109.905 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -47.06 -20.06 0.14 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.522 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.526 HD11 ' HB ' ' A' ' 42' ' ' VAL . 24.1 mm -62.15 -42.77 96.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 CA-C-O 120.758 0.313 . . . . 0.0 110.689 179.536 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 95.5 mt -62.61 -45.16 99.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.166 0.507 . . . . 0.0 110.479 -179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 46.9 m -58.41 -43.34 88.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.104 -0.498 . . . . 0.0 109.937 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -69.0 -40.54 78.65 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.521 -0.471 . . . . 0.0 110.212 179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.27 37.92 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 19.1 m -50.21 -45.23 53.55 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.6 -35.44 62.96 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.858 0.361 . . . . 0.0 110.149 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 48.4 t80 -58.55 -48.55 80.52 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.615 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.27 -42.16 99.1 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.518 -0.473 . . . . 0.0 109.95 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 68.6 m -60.49 -41.72 94.87 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.672 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.07 -49.22 78.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.673 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.0 mm -66.18 -42.31 90.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.283 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -53.1 -45.65 68.35 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.506 -179.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -62.05 -46.23 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.392 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.44 -43.77 98.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.103 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -59.5 -37.83 79.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.53 179.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -62.56 -41.07 98.67 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.459 179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -81.38 -24.81 36.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.287 178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 11.3 tp -70.43 -59.39 2.89 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.217 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.604 ' O ' HG13 ' A' ' 149' ' ' VAL . 7.1 p -46.87 107.71 0.75 Allowed Pre-proline 0 CA--C 1.538 0.515 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.445 -179.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -51.18 -42.03 55.32 Favored 'Trans proline' 0 N--CA 1.497 1.703 0 C-N-CA 121.51 1.474 . . . . 0.0 112.652 -179.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 76.1 ttt180 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.512 -179.578 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.441 ' CG ' ' H ' ' A' ' 6' ' ' ARG . 3.5 tp . . . . . 0 N--CA 1.493 1.687 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.441 ' H ' ' CG ' ' A' ' 5' ' ' LEU . 10.1 ptp180 -162.7 124.41 2.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.389 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.22 65.0 1.62 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.277 -1.129 . . . . 0.0 110.277 179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 28.7 tp -76.06 -105.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.852 -0.339 . . . . 0.0 110.265 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.425 ' O ' HD23 ' A' ' 11' ' ' LEU . 46.8 p -170.87 39.06 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.893 0.378 . . . . 0.0 110.362 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 10' ' ' ASP . 50.8 p-10 -82.09 139.34 34.48 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.853 -179.565 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.527 ' CG ' ' H ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -163.03 -82.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.711 -179.752 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.527 ' H ' ' CG ' ' A' ' 11' ' ' LEU . . . 72.77 102.85 0.07 OUTLIER Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.3 -52.04 0.56 Allowed Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 mtm180 -60.06 -46.45 89.52 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 120.207 -0.597 . . . . 0.0 109.945 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.77 -19.16 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -77.24 -50.17 13.5 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.5 -179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 70.3 m-80 -94.56 6.39 48.98 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.834 -179.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.0 tt -67.65 -29.18 44.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 121.141 0.496 . . . . 0.0 110.283 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -69.73 -46.23 54.78 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.451 -0.881 . . . . 0.0 111.005 -179.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' A' ' 24' ' ' HIS . 93.0 m-20 -71.85 -41.18 68.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.773 0.32 . . . . 0.0 111.344 -179.704 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.74 -39.46 85.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.316 -179.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.474 ' SD ' ' O ' ' A' ' 22' ' ' MET . 26.8 tpp -74.49 -29.35 61.39 Favored 'General case' 0 CA--C 1.517 -0.325 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.6 -179.216 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 88.5 mt-10 -107.65 10.27 29.07 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.87 -0.419 . . . . 0.0 109.87 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . 0.501 ' O ' HG12 ' A' ' 27' ' ' VAL . 8.2 t-80 -48.68 135.33 13.5 Favored Pre-proline 0 CA--C 1.543 0.707 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.538 -178.347 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_exo -43.74 -28.52 1.96 Allowed 'Trans proline' 0 N--CA 1.496 1.627 0 C-N-CA 121.781 1.654 . . . . 0.0 112.527 179.642 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -64.96 -41.48 95.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.063 0.459 . . . . 0.0 110.287 -179.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 24' ' ' HIS . 0.9 OUTLIER -65.74 -34.78 72.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.009 179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -61.75 -46.11 91.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.48 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 41.8 tp -64.11 -44.1 93.29 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.699 -0.401 . . . . 0.0 111.048 179.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -61.93 -51.05 59.74 Favored Glycine 0 CA--C 1.521 0.415 0 N-CA-C 111.304 -0.718 . . . . 0.0 111.304 -179.035 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.4 t -64.78 -43.14 96.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 N-CA-C 109.757 -0.46 . . . . 0.0 109.757 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.7 m -58.59 -46.73 86.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.02 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 45.9 t80 -64.25 -44.13 92.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.098 0.475 . . . . 0.0 110.243 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.18 -39.85 94.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.695 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.14 -37.38 86.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.392 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -61.69 -43.97 97.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.357 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 41' ' ' VAL . 35.5 mt -62.53 -40.25 96.19 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.294 -179.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.7 m -58.37 -41.78 85.54 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.869 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' HG23 ' A' ' 43' ' ' VAL . 73.4 t -62.49 -43.4 98.3 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.275 0 CA-C-O 121.389 0.614 . . . . 0.0 110.155 179.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 51.5 mm -72.08 -43.22 67.28 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.947 179.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 37' ' ' LEU . 55.6 t -60.02 -47.27 92.42 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -178.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 p -61.87 -36.43 73.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 -179.472 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 39' ' ' VAL . 59.8 t -62.53 -44.48 99.37 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.69 179.21 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.55 ' O ' ' O ' ' A' ' 48' ' ' MET . 78.3 t -58.71 -47.89 87.58 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.422 0 C-N-CA 120.578 -0.449 . . . . 0.0 110.255 -179.365 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -60.63 -43.35 97.62 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.606 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -61.33 -47.06 87.63 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.95 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 69.7 p -78.66 -56.41 4.44 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.172 -179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.55 ' O ' ' O ' ' A' ' 44' ' ' VAL . 77.0 mtm -125.53 130.82 52.49 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.174 0.511 . . . . 0.0 111.318 -179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 -92.89 22.97 4.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.962 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 52.0 mt 39.72 -149.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.418 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.492 ' O ' ' N ' ' A' ' 55' ' ' LEU . 7.1 m -110.23 162.95 14.1 Favored 'General case' 0 C--O 1.22 -0.473 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.351 179.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -45.63 -54.03 8.0 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 121.094 -0.575 . . . . 0.0 111.672 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' A' ' 53' ' ' GLU . 1.8 pm0 -59.31 -56.68 19.04 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 122.565 -0.373 . . . . 0.0 110.785 -179.58 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -61.89 -30.88 71.17 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.45 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 51' ' ' SER . 34.9 tp -62.73 -44.27 96.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.031 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 75.2 t -61.84 -45.39 98.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.154 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 21.4 ttt-85 -60.13 -42.59 95.14 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.56 179.501 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.07 -43.72 98.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.901 0.381 . . . . 0.0 110.452 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -62.2 -40.22 95.38 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.833 179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 50.0 tp -63.64 -46.97 83.24 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.385 -0.526 . . . . 0.0 110.419 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 56.3 t -60.49 -44.55 96.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.304 -179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -60.31 -39.89 88.61 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.426 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 tp -58.32 -41.92 85.61 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.048 -179.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.409 ' HA ' HD12 ' A' ' 67' ' ' ILE . 1.6 mp -61.42 -45.11 99.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.843 -0.343 . . . . 0.0 110.628 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 93.4 mt -58.0 -39.61 78.7 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 -178.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.544 ' CG1' ' NE1' ' A' ' 70' ' ' TRP . 92.4 t -64.88 -40.88 90.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.435 179.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.409 HD12 ' HA ' ' A' ' 64' ' ' ILE . 87.3 mt -58.2 -43.04 84.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.384 -179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 1.8 mp -62.06 -45.06 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 C-N-CA 120.411 -0.516 . . . . 0.0 109.724 179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.2 mt -64.6 -39.62 94.06 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 0.0 109.896 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.544 ' NE1' ' CG1' ' A' ' 66' ' ' VAL . 9.9 m0 -58.95 -34.36 71.68 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.416 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -54.18 -54.42 40.1 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.594 -0.442 . . . . 0.0 111.16 -179.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -64.53 -45.17 88.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.794 0.33 . . . . 0.0 110.993 -179.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.652 ' OH ' HG22 ' A' ' 87' ' ' VAL . 75.2 t80 -61.95 -46.94 87.08 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.844 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -65.18 -47.37 77.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.73 -178.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.59 -47.2 86.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.924 0.393 . . . . 0.0 110.052 -178.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ARG . . . . . . . . . . . . . 7.1 tpp180 -64.43 -42.19 96.16 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.885 -179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -51.99 -49.88 62.43 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.752 -0.379 . . . . 0.0 110.356 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -67.81 -41.78 82.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.539 179.669 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.7 tttm -54.99 -34.08 63.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.514 -179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -66.39 -17.67 64.91 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.864 -0.334 . . . . 0.0 110.649 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 71.88 16.09 76.29 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -153.63 70.5 6.64 Favored Pre-proline 0 C--N 1.326 -0.444 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PRO . . . . . 0.833 ' O ' HG23 ' A' ' 87' ' ' VAL . 17.4 Cg_endo -55.52 -44.64 46.41 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.008 1.805 . . . . 0.0 112.918 -179.179 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -48.35 82.1 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.65 -0.42 . . . . 0.0 110.703 -179.46 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -69.21 -42.21 76.61 Favored Glycine 0 CA--C 1.521 0.465 0 N-CA-C 110.424 -1.07 . . . . 0.0 110.424 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 44.2 t80 -58.11 -41.11 82.87 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -179.585 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 83' ' ' PRO . 88.9 t -67.3 -49.02 76.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.503 -0.479 . . . . 0.0 111.722 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 51.6 mtmt -59.7 -17.04 31.4 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.251 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.8 tmmt? -90.14 -3.94 57.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.003 -179.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.514 ' O ' HD13 ' A' ' 94' ' ' ILE . 76.1 p -127.65 39.06 3.94 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 121.025 0.44 . . . . 0.0 110.798 -179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.766 HD12 ' H ' ' A' ' 91' ' ' LEU . 0.0 OUTLIER -66.65 -19.41 65.76 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.704 -179.817 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -86.69 -17.95 32.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.399 -179.621 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' CD ' ' HZ1' ' A' ' 136' ' ' LYS . 3.0 tm-20 -102.31 -27.65 12.72 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.819 -179.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.533 ' N ' ' CD ' ' A' ' 95' ' ' PRO . 1.2 mp -54.24 -45.18 99.28 Favored Pre-proline 0 CA--C 1.538 0.509 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.219 179.363 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 94' ' ' ILE . 49.9 Cg_exo -53.5 -35.93 78.09 Favored 'Trans proline' 0 C--N 1.312 -1.359 0 C-N-CA 122.206 1.937 . . . . 0.0 111.795 -178.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ALA . . . . . . . . . . . . . . . -69.23 -41.48 76.94 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.918 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 98' ' ' VAL . 31.4 mt -67.53 -36.7 81.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.84 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' LEU . 14.8 t -34.72 113.82 0.47 Allowed Pre-proline 0 CA--C 1.546 0.797 0 O-C-N 123.477 0.485 . . . . 0.0 110.501 -178.768 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.77 136.15 18.55 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 121.438 1.425 . . . . 0.0 112.233 -179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -58.93 -23.64 61.57 Favored 'General case' 0 CA--C 1.516 -0.352 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.315 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -56.65 -45.31 90.63 Favored Glycine 0 CA--C 1.527 0.811 0 N-CA-C 110.826 -0.91 . . . . 0.0 110.826 -179.485 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 61.5 tp -64.22 -46.92 81.72 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.422 -0.511 . . . . 0.0 110.329 179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' CD2' ' N ' ' A' ' 103' ' ' LEU . 3.9 mm? -64.34 -38.94 92.8 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.252 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.17 -44.63 71.67 Favored 'General case' 0 C--N 1.317 -0.839 0 C-N-CA 120.44 -0.504 . . . . 0.0 109.893 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 95.9 mt -62.2 -46.17 90.11 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.397 -0.521 . . . . 0.0 110.352 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 80.5 mt -70.52 -50.74 43.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 C-N-CA 120.62 -0.432 . . . . 0.0 111.246 179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.1 tt0 -57.23 -41.16 78.98 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.409 -179.311 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -64.73 -39.89 97.0 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -60.08 -49.76 76.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.706 0.289 . . . . 0.0 110.752 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 49.5 mt -63.59 -42.53 98.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.484 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -65.91 -37.53 86.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.505 179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -60.02 -39.53 95.8 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 mt -72.34 -11.57 60.76 Favored 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.269 -179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLY . . . . . . . . . . . . . . . 87.35 18.6 56.93 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LEU . . . . . . . . . . . . . 65.4 mt -95.97 104.79 16.75 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.102 0.477 . . . . 0.0 109.906 179.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -96.43 -9.47 29.77 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.365 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ARG . . . . . . . . . . . . . 66.0 ttt180 -62.11 -53.43 55.55 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.478 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 46.5 mt -64.24 -31.41 72.6 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.002 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 95.0 t -62.41 -35.06 67.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.92 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . . . . . . . . . 1.8 tpm_? -58.04 -47.1 84.11 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.818 0.342 . . . . 0.0 110.95 -178.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.55 HD12 ' N ' ' A' ' 121' ' ' LEU . 9.7 mp -64.92 -39.35 93.37 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.167 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -62.76 -45.52 92.3 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.267 -179.309 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.3 ttm180 -60.83 -39.31 88.55 Favored 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 119.839 -0.744 . . . . 0.0 109.889 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -55.82 -46.98 77.98 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.899 -179.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . . . . . . . . . 7.5 tp -59.6 -37.99 80.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.598 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 22.2 ttp180 -54.75 -38.4 67.12 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.477 -179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.461 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.8 mp -61.36 -45.75 97.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 C-N-CA 119.723 -0.791 . . . . 0.0 110.252 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' LEU . . . . . . . . . . . . . 88.5 mt -66.17 -26.7 67.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.103 0.477 . . . . 0.0 110.156 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 16.9 tp -61.29 -34.99 76.11 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.805 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 39.0 mm -59.73 -44.0 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.154 -179.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ILE . . . . . . . . . . . . . 30.4 mm -64.75 -42.81 96.0 Favored 'Isoleucine or valine' 0 C--O 1.237 0.397 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.776 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' SER . . . . . . . . . . . . . 84.0 p -52.15 -52.4 52.02 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.666 -0.414 . . . . 0.0 110.7 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 84.7 mtt180 -66.19 -36.15 82.31 Favored 'General case' 0 C--O 1.238 0.491 0 CA-C-O 121.222 0.534 . . . . 0.0 110.485 179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -56.38 -26.47 51.32 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' SER . . . . . . . . . . . . . 7.4 t -61.08 -42.05 97.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.885 0.374 . . . . 0.0 110.496 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . 0.514 ' HZ1' ' CD ' ' A' ' 93' ' ' GLU . 58.2 mttm -63.16 -44.2 96.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.023 -179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -60.42 -48.03 83.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.436 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LEU . . . . . . . . . . . . . 68.4 mt -63.75 -45.3 90.46 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.685 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 10.9 t -65.86 -47.2 75.71 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.192 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -60.56 -46.63 89.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.746 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 5.5 mm -65.44 -43.67 94.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.514 -179.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -57.74 -45.07 86.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.011 0.434 . . . . 0.0 110.253 -179.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -63.15 -46.56 86.63 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.825 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ALA . . . . . . . . . . . . . . . -62.66 -42.94 99.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.819 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.35 91.61 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.678 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -64.05 -35.33 80.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.929 -179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -80.72 -41.73 23.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.236 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . 0.539 ' O ' ' O ' ' A' ' 149' ' ' VAL . 7.5 mt -70.12 -59.16 3.07 Favored 'General case' 0 C--O 1.224 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.4 -178.443 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' VAL . . . . . 0.539 ' O ' ' O ' ' A' ' 148' ' ' LEU . 0.9 OUTLIER 50.06 160.69 0.04 OUTLIER Pre-proline 0 CA--C 1.534 0.332 0 O-C-N 123.917 0.761 . . . . 0.0 110.94 179.772 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.73 98.5 1.14 Allowed 'Trans proline' 0 C--N 1.311 -1.412 0 C-N-CA 121.492 1.461 . . . . 0.0 111.043 178.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 8.2 mmm180 . . . . . 0 C--O 1.219 -0.536 0 CA-C-O 117.908 -1.044 . . . . 0.0 110.186 179.698 . . . . . . . . 0 0 . 1 stop_ save_