data_1i5h_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 1i5h _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.808 0.253 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.428 HD12 ' N ' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.437 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.428 ' N ' HD12 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.464 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.479 HD12 HG22 ' W' ' 478' ' ' ILE . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.42 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.464 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.409 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.528 0.182 0 CA-C-O 120.639 0.183 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . 0.446 ' CE2' ' HE3' ' W' ' 483' ' ' LYS . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.82 0.258 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.43 ' HB3' ' CD ' ' W' ' 462' ' ' PRO . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.4 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.478 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.468 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.478 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 120.757 0.232 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.4 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.854 0.272 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.424 HD12 ' N ' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.424 ' N ' HD12 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' W' ' 476' ' ' PHE . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.446 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.47 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 2.0 m-80 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.426 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.463 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.718 0.216 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.872 0.28 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' W' ' 462' ' ' PRO . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.436 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.489 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.454 HG23 HD13 ' W' ' 478' ' ' ILE . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.429 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . 0.426 ' CE1' ' CZ ' ' B' ' 618' ' ' TYR . 1.1 m-70 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.4 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.75 0.229 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CZ ' ' CE1' ' W' ' 480' ' ' HIS . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.794 0.248 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.437 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.469 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.422 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.9 m-80 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.445 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 12.6 ptm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 CA-C-O 120.631 0.18 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 121.014 0.339 . . . . 0.0 112.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.43 ' N ' HD11 ' W' ' 461' ' ' LEU . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 469' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' W' ' 469' ' ' THR . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.491 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.427 HD12 HG21 ' W' ' 478' ' ' ILE . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.6 m-80 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.429 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.451 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.675 0.198 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.484 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.463 -0.319 0 CA-C-O 120.788 0.245 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.442 ' CB ' ' CD ' ' W' ' 462' ' ' PRO . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.431 ' HB3' ' CD1' ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.481 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.48 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.0 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.433 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . 0.401 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.822 0.259 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 121.006 0.336 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.419 ' N ' HD11 ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.441 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.493 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.403 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.468 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.468 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.493 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.671 0.196 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.403 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.432 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.478 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.469 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.668 0.195 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.78 0.241 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.438 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.468 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.44 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.483 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.491 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' W' ' 485' ' ' THR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.481 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.457 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 CA--C 1.527 0.137 0 CA-C-O 120.712 0.213 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.44 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.446 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.405 ' O ' HG13 ' W' ' 475' ' ' VAL . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.486 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.408 ' C ' ' CE3' ' W' ' 465' ' ' TRP . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.431 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.428 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.428 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.76 0.233 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.486 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.463 -0.317 0 CA-C-O 120.769 0.237 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' W' ' 477' ' ' PHE . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.417 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.473 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 57.2 t60 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.457 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.45 HD11 HG22 ' W' ' 478' ' ' ILE . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.438 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 3.6 m-80 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 485' ' ' THR . . . . . 0.467 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.449 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 CA--C 1.528 0.199 0 CA-C-O 120.716 0.215 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.828 0.262 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.481 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.465 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.435 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.2 m-80 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . 0.436 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.481 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.695 0.206 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.743 0.226 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' W' ' 491' ' ' ARG . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.481 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.477 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.209 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.791 0.246 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' W' W ' 461' ' ' LEU . . . . . 0.455 HD22 ' CE2' ' W' ' 477' ' ' PHE . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 462' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 465' ' ' TRP . . . . . 0.462 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 475' ' ' VAL . . . . . 0.407 HG12 ' O ' ' W' ' 475' ' ' VAL . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 476' ' ' PHE . . . . . 0.48 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 477' ' ' PHE . . . . . 0.455 ' CE2' HD22 ' W' ' 461' ' ' LEU . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 478' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 481' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 482' ' ' ILE . . . . . 0.434 HD12 HG23 ' W' ' 482' ' ' ILE . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 483' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' W' W ' 490' ' ' PRO . . . . . 0.462 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.688 0.203 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 615' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 618' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 2.4 m 65.87 67.79 0.7 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.71 0.29 . . . . 0.0 110.928 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.407 ' O ' ' CG1' ' W' ' 453' ' ' VAL . 31.1 Cg_endo -63.6 109.74 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.61 2.207 . . . . 0.0 112.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . 0.407 ' CG1' ' O ' ' W' ' 452' ' ' PRO . 10.7 m -160.76 158.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.25 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.2 t -74.2 -54.07 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -143.52 62.37 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.64 134.67 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 39.1 mt -120.7 -41.66 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 98.6 -107.22 3.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 55.98 5.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.428 HD12 ' N ' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.437 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.428 ' N ' HD12 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.464 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.479 HD12 HG22 ' W' ' 478' ' ' ILE . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.42 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.464 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.409 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -73.58 -21.6 60.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -36.57 21.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -75.93 74.67 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' W' ' 494' ' ' ASN . 12.4 p-10 -163.64 135.78 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 11.2 p -159.65 32.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.83 151.93 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.5 pp -158.28 -179.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.31 131.23 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -82.16 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -71.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.294 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.41 107.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.55 -36.65 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.59 2.193 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 15.9 mt -125.82 101.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.093 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -66.13 -45.32 5.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.378 2.052 . . . . 0.0 112.257 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.62 -33.33 2.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 43.0 p -70.56 141.04 87.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.71 168.62 14.62 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.546 2.164 . . . . 0.0 112.193 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . 0.446 ' CE2' ' HE3' ' W' ' 483' ' ' LYS . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -160.38 152.3 16.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.412 ' O ' ' CG1' ' W' ' 453' ' ' VAL . 63.3 Cg_exo -51.02 97.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.592 2.195 . . . . 0.0 112.385 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' W' ' 452' ' ' PRO . 9.7 m -160.73 66.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.61 35.26 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.779 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -73.9 -44.12 56.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -117.94 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -114.94 135.84 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 30.8 mt -155.55 129.85 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -99.73 -101.02 2.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 59.4 2.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.555 2.17 . . . . 0.0 112.232 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.43 ' HB3' ' CD ' ' W' ' 462' ' ' PRO . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.43 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.416 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.468 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.4 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.478 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.468 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.478 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -73.87 -16.32 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.7 tpt -82.57 -15.86 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.62 62.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 48.8 m-80 -76.89 -72.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 33.6 m -158.75 42.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.201 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' W' ' 497' ' ' ILE . . . -168.81 171.01 8.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' W' ' 496' ' ' ALA . 23.2 mt -157.41 -71.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 10.5 t -78.0 123.96 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.153 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.461 -1.189 . . . . 0.0 112.578 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 -39.37 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 7.6 p -64.63 -61.68 2.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . 0.405 ' O ' ' CG ' ' B' ' 608' ' ' LEU . 0.5 OUTLIER 49.83 58.33 17.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.79 -31.44 25.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.58 2.187 . . . . 0.0 112.233 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 58.7 mt -113.67 87.04 11.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.29 -38.55 64.53 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.132 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.6 -97.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 33.9 p -117.22 157.14 47.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.193 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.98 159.39 12.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.543 2.162 . . . . 0.0 112.23 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.4 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.75 144.68 16.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.92 83.88 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.563 2.175 . . . . 0.0 112.177 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 26.9 m -79.47 -35.94 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.66 74.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 79.7 p -74.94 -63.48 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -93.02 135.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.17 88.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 25.3 mt -109.16 -37.57 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 87.88 -113.03 3.95 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.34 59.63 5.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.436 2.09 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.424 HD12 ' N ' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.422 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.47 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.424 ' N ' HD12 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . 0.461 ' HB3' ' CE1' ' W' ' 476' ' ' PHE . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.418 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.423 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.446 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.47 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 2.0 m-80 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.426 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.433 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.463 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -73.68 -15.45 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 3.0 tpt -83.18 -27.92 29.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . 0.405 ' NE2' HG22 ' W' ' 497' ' ' ILE . 0.0 OUTLIER -88.53 64.92 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.91 -62.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.176 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 7.4 p -160.05 78.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.319 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.52 75.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.887 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . 0.405 HG22 ' NE2' ' W' ' 493' ' ' GLN . 0.7 OUTLIER -157.68 52.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 38.1 p -65.9 113.32 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.8 t -161.59 -53.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 0.0 110.772 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.312 179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.19 62.66 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -70.97 -31.99 14.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.19 80.12 69.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -65.68 -39.31 21.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.536 2.157 . . . . 0.0 112.438 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 32.9 -97.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 113.839 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 21.1 p -144.66 90.25 6.48 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.4 152.86 44.2 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 56.0 p -61.04 149.64 81.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 110.722 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 176.94 6.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.522 2.148 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.96 -24.16 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.14 132.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 15.9 p -166.18 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -155.44 -73.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.39 91.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 66.4 mt -115.37 -26.02 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 87.97 -148.83 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.56 71.01 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.173 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.418 ' HB3' ' CD ' ' W' ' 462' ' ' PRO . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.436 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.436 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.441 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.42 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.489 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.454 HG23 HD13 ' W' ' 478' ' ' ILE . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.429 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . 0.426 ' CE1' ' CZ ' ' B' ' 618' ' ' TYR . 1.1 m-70 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.4 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.489 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -74.17 -13.84 60.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -35.04 25.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.06 122.31 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -163.01 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.766 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 9.8 t 70.81 42.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.96 -160.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.87 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 13.3 mm 57.16 37.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.069 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 9.8 t -80.69 134.17 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 63.3 m -98.8 -33.39 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 3.1 m 76.77 -68.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.231 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.4 tp 54.88 62.63 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.785 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.78 -33.09 5.18 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.646 2.23 . . . . 0.0 112.597 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 59.0 mt -129.91 84.55 60.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.295 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -61.88 -59.29 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.93 -82.91 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.371 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 5.3 p -136.7 140.38 31.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.663 0.268 . . . . 0.0 111.015 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.12 153.4 21.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.246 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CZ ' ' CE1' ' W' ' 480' ' ' HIS . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' W' W ' 451' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' W' ' 452' ' ' PRO . 0.4 OUTLIER 173.8 -53.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.647 0.261 . . . . 0.0 110.72 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.43 ' O ' ' CG2' ' W' ' 453' ' ' VAL . 77.9 Cg_exo -49.93 139.45 33.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.147 . . . . 0.0 112.295 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' W' ' 452' ' ' PRO . 16.5 m 45.45 -172.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.608 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 17.8 t70 56.51 29.26 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.4 t -166.51 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.76 142.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -108.94 74.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 105.74 -147.49 16.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.694 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.0 66.63 3.3 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.55 2.167 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.437 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.45 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.469 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.422 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.9 m-80 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.445 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . 0.42 ' O ' ' ND2' ' W' ' 494' ' ' ASN . 12.6 ptm180 -74.07 -23.4 59.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -23.65 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.17 81.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.159 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.43 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 8.3 p30 -164.77 -45.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 14.0 p 44.39 42.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.514 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.87 179.99 3.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . 0.422 ' O ' ' CG1' ' W' ' 497' ' ' ILE . 0.4 OUTLIER -86.11 56.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 2.8 p -96.55 132.9 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.453 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.7 -48.58 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.63 -60.42 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 52.1 61.51 12.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 -31.32 31.11 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 26.0 mt -134.1 97.37 15.1 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.35 -45.62 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.6 2.2 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.16 -54.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 6.0 p -91.67 135.21 27.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.68 160.24 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.414 2.076 . . . . 0.0 112.169 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' W' W ' 451' ' ' SER . . . . . 0.426 ' CB ' ' HD3' ' W' ' 452' ' ' PRO . 0.1 OUTLIER -80.1 -53.9 0.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.426 ' HD3' ' CB ' ' W' ' 451' ' ' SER . 50.6 Cg_exo -53.54 105.21 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.221 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 15.0 p -78.97 -23.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . 0.412 ' O ' ' CB ' ' W' ' 455' ' ' SER . 11.0 m-20 -122.58 -162.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 455' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 0.3 OUTLIER 80.44 -71.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 54.08 175.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -118.38 99.19 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 33.6 mt -93.6 -24.74 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 100.68 -148.73 18.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.202 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_exo -65.73 69.54 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.609 2.206 . . . . 0.0 112.045 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.43 ' N ' HD11 ' W' ' 461' ' ' LEU . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.421 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 469' ' ' THR . . . . . 0.404 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.404 ' HA ' ' HA ' ' W' ' 469' ' ' THR . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.484 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.491 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.427 HD12 HG21 ' W' ' 478' ' ' ILE . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.462 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.42 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.6 m-80 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.429 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.451 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -74.78 -23.79 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -95.59 65.66 2.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -76.82 -64.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 4.2 t 60.16 30.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.05 117.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . 0.429 ' N ' HD12 ' W' ' 497' ' ' ILE . 0.9 OUTLIER -82.45 177.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 12.6 t -101.86 145.99 28.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.124 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 62.0 m -88.87 -31.11 18.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -66.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.3 tp 49.42 64.41 8.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.68 -34.01 20.08 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.224 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 53.8 mt -128.5 94.13 36.26 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.73 -59.85 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.569 2.179 . . . . 0.0 112.229 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.24 -65.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.55 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 71.7 p -76.31 138.42 67.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.261 . . . . 0.0 111.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.92 167.56 26.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.536 2.158 . . . . 0.0 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.484 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 91.3 p -121.04 160.12 46.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.54 -50.39 8.28 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 7.1 p -79.32 120.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.19 95.85 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.9 p -166.16 -159.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.713 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.28 97.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.71 71.34 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . 0.424 HD13 ' CZ ' ' W' ' 491' ' ' ARG . 4.3 pp -83.75 -40.2 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 61.46 -110.71 3.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.846 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.8 69.17 8.05 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.423 2.082 . . . . 0.0 111.725 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.442 ' CB ' ' CD ' ' W' ' 462' ' ' PRO . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.473 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.48 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.431 ' HB3' ' CD1' ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.481 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.48 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.452 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.433 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.0 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.433 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . 0.424 ' CZ ' HD13 ' W' ' 458' ' ' LEU . 8.2 ptm180 -74.27 -25.49 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -24.93 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.88 71.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 39.9 m-80 -76.86 -78.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 12.5 p 44.03 37.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.597 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' W' ' 495' ' ' VAL . . . 82.13 173.27 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 8.1 mt 67.01 -68.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' W' W ' 498' ' ' THR . . . . . 0.408 ' N ' ' O ' ' W' ' 496' ' ' ALA . 0.2 OUTLIER -89.89 112.41 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 38.7 m -101.48 -35.48 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.786 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.93 -50.24 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -107.13 76.77 0.49 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_endo -74.56 -31.89 6.59 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.625 2.217 . . . . 0.0 112.397 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.68 97.1 10.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_endo -68.89 -38.97 8.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.608 2.205 . . . . 0.0 112.319 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.83 -83.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.415 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 10.3 p -125.11 96.35 39.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.21 154.33 23.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -168.96 83.93 0.67 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.703 0.287 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' W' ' 453' ' ' VAL . 52.4 Cg_exo -55.03 -26.42 49.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.576 2.184 . . . . 0.0 112.398 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' W' ' 452' ' ' PRO . 60.8 t -158.53 -51.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -174.25 67.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.062 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -34.98 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.51 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.183 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.09 68.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.83 -29.62 70.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 73.54 -134.68 19.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.326 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -65.6 76.5 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.53 2.153 . . . . 0.0 112.503 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.419 ' N ' HD11 ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.441 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.441 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.493 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.403 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.415 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.468 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.485 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.465 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.468 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.493 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -74.97 -15.94 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.87 -38.78 20.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.29 104.8 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.89 -63.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 14.6 p -159.95 38.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 37.62 87.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.127 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 7.9 pt -158.56 58.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 1.3 m -119.6 124.35 46.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.466 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 4.4 t 62.33 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.3 m -83.74 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.26 59.67 16.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 -33.3 28.74 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 67.0 mt -112.97 88.82 12.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.44 -60.25 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.591 2.194 . . . . 0.0 112.38 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.99 -98.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.8 p -103.06 145.95 31.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -48.08 174.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.403 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.03 174.83 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.728 0.299 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -57.31 165.86 5.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.653 2.235 . . . . 0.0 112.491 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 4.8 m -159.7 -43.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.806 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' W' ' 455' ' ' SER . 8.1 p-10 -132.5 -45.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.673 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 455' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 1.2 t 80.84 -65.32 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.056 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 65.4 107.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.545 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.79 144.1 27.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 8.2 mt -129.3 -43.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 120.46 -149.44 17.6 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.81 61.77 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.832 2.355 . . . . 0.0 112.281 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.421 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.432 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.432 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.469 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.422 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . 0.4 ' O ' ' HA ' ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.478 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.469 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . . . . . . . . . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.478 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -73.57 -15.37 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -29.24 28.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -75.42 65.26 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -76.47 -51.48 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.427 ' O ' ' CB ' ' W' ' 496' ' ' ALA . 59.7 t -81.74 -26.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . 0.427 ' CB ' ' O ' ' W' ' 495' ' ' VAL . . . 82.51 -65.25 0.11 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.9 pt -81.54 -179.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 9.4 t -85.52 125.35 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.184 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.483 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 79.7 p -159.96 -72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.0 m -133.77 -40.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.501 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . 0.41 ' CD2' ' HG3' ' B' ' 611' ' ' PRO . 1.2 tp -110.75 71.09 0.68 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.21 -37.23 2.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 0.0 112.291 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -152.48 93.56 3.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . 0.41 ' HG3' ' CD2' ' B' ' 608' ' ' LEU . 52.3 Cg_exo -52.94 -59.62 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.48 2.12 . . . . 0.0 112.201 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.7 -98.3 0.51 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.28 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 24.7 p -145.04 96.11 5.04 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.268 . . . . 0.0 110.847 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.73 162.3 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.639 2.226 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.411 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.84 86.57 7.75 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.44 65.23 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.622 2.215 . . . . 0.0 112.147 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.57 -25.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -148.75 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 23.8 p -74.43 -24.47 59.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -137.56 128.33 27.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.21 115.78 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 7.3 mt -104.42 -49.99 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.088 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 97.45 -104.72 3.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.71 57.7 6.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.411 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.438 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.438 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.491 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.468 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.44 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.417 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.483 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.491 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.4 ' HA ' ' HA ' ' W' ' 485' ' ' THR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.481 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.46 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.483 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . 0.423 ' CD1' ' HG2' ' B' ' 611' ' ' PRO . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.457 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -73.93 -14.08 61.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.27 25.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.75 -56.72 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.06 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.18 85.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -72.07 164.87 25.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 46.7 pt -81.97 -25.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.7 142.59 34.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.3 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 43.4 p -68.82 -32.12 71.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . 0.4 ' CD2' ' HG3' ' B' ' 611' ' ' PRO . 3.0 tt -116.92 67.37 4.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.055 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.66 -33.63 2.24 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.688 2.259 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.2 pt -151.0 88.84 4.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' W' ' 487' ' ' TRP . 68.5 Cg_exo -51.56 -57.17 2.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.622 2.215 . . . . 0.0 112.41 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.84 -70.45 0.49 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.626 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.3 p -118.94 136.69 24.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.62 0.248 . . . . 0.0 111.24 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.5 153.76 33.54 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.521 2.147 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.44 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . 0.429 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.09 161.73 39.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.699 0.285 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 98.91 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 14.8 t -157.89 -55.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -89.28 54.15 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 3.1 m -73.84 -52.77 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -86.41 167.55 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.79 114.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 63.5 mt -106.33 -34.04 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.11 -108.39 3.67 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 58.41 3.1 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.488 2.126 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.446 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.446 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.433 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.405 ' O ' HG13 ' W' ' 475' ' ' VAL . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.486 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.408 ' C ' ' CE3' ' W' ' 465' ' ' TRP . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.431 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.467 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.428 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.428 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -75.07 -22.6 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -21.05 27.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -73.64 61.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.341 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.25 90.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 3.5 t -157.18 87.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.84 138.49 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -158.56 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.357 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 91.9 m -130.74 131.29 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 20.7 t -68.21 -18.83 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.63 0.253 . . . . 0.0 111.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -73.68 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 111.437 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.41 60.65 1.51 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.57 -40.87 5.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.659 2.239 . . . . 0.0 112.573 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 pt -151.63 92.38 3.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.15 -39.61 51.47 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.586 2.191 . . . . 0.0 112.272 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.72 -40.47 1.51 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 15.1 p -115.49 140.83 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.56 171.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.41 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.486 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 97.8 p -169.76 94.14 0.51 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.81 68.35 7.19 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.656 2.237 . . . . 0.0 112.421 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.01 -52.68 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.1 148.26 38.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 25.2 p -165.79 31.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.54 170.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.74 116.22 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 25.8 mt -104.75 -35.53 7.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.62 -110.01 3.93 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.66 63.05 7.98 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.66 2.24 . . . . 0.0 112.572 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.457 HD22 ' CE2' ' W' ' 477' ' ' PHE . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.417 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.417 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.451 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.421 ' N ' ' CD1' ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.473 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 57.2 t60 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.41 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.467 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.457 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.45 HD11 HG22 ' W' ' 478' ' ' ILE . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.438 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.438 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 3.6 m-80 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 485' ' ' THR . . . . . 0.467 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.419 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.449 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 -24.25 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -29.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.7 -44.07 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -76.24 134.55 39.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.042 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 19.9 t 68.07 57.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.253 179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.92 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.4 mt 53.94 54.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.075 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 19.8 p -73.85 126.21 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.542 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.12 -25.51 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -51.22 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . 0.43 ' CD2' ' HG3' ' B' ' 611' ' ' PRO . 4.4 tp -41.0 100.16 0.22 Allowed Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.582 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.73 -37.2 3.12 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.536 2.158 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -150.07 111.62 3.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.38 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . 0.43 ' HG3' ' CD2' ' B' ' 608' ' ' LEU . 33.1 Cg_exo -57.9 -52.21 6.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.294 1.996 . . . . 0.0 112.216 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.7 -77.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.672 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 66.9 p -57.04 132.19 80.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.5 158.5 15.71 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.246 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.41 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 69.44 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.77 123.83 7.12 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.96 -63.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -125.02 -40.8 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m 41.25 -159.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -128.36 71.04 1.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.55 111.32 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.23 -30.32 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 104.89 -136.43 13.1 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.93 63.22 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.481 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.465 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.436 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.435 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.435 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.2 m-80 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . 0.436 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.481 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -74.48 -24.45 59.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 2.4 tpp -85.7 -25.92 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -99.81 57.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.76 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.45 -61.29 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 51.51 84.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.95 119.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.5 mp 62.11 56.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 76.4 p -81.73 129.67 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.516 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 -49.82 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 63.3 p -130.57 -45.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.67 108.79 1.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.84 -43.38 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.462 2.108 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 34.1 mt -136.73 118.94 11.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.71 -45.1 2.48 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.374 2.049 . . . . 0.0 112.393 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.67 -94.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 161.3 55.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.69 0.281 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 78.1 Cg_exo -50.29 -176.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.497 2.131 . . . . 0.0 112.474 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.43 88.62 16.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -68.74 -35.09 17.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.591 2.194 . . . . 0.0 112.418 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 4.2 t 73.52 31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.79 33.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 2.9 t -74.57 -158.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -50.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 133.42 55.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.06 136.21 49.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -96.51 -101.78 2.0 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.94 60.89 4.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.537 2.158 . . . . 0.0 112.429 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.408 ' HA ' ' HD2' ' W' ' 491' ' ' ARG . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.483 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . 0.428 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.485 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.418 ' O ' ' CG1' ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.481 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.477 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.428 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . 0.408 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER -74.7 -26.6 59.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -84.71 -29.89 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -75.78 95.22 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.423 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 2.0 p30 -163.3 134.51 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.423 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 11.6 p 44.48 35.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.422 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.75 127.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.0 mp 54.31 23.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 -179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 50.5 p -96.48 144.45 26.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.532 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.65 -48.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 36.8 m -102.26 -35.41 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 9.1 tp -112.99 74.57 1.79 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.53 -40.12 2.32 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 112.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . 0.402 HD12 HG22 ' B' ' 610' ' ' ILE . 2.9 pt -152.84 98.43 2.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.14 -50.25 3.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.629 2.219 . . . . 0.0 112.206 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.71 -35.89 0.19 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.122 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 17.7 p -56.61 149.88 38.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.805 0.303 . . . . 0.0 111.222 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_endo -57.26 179.55 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.742 2.294 . . . . 0.0 112.453 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.481 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 15.3 t -57.7 150.77 45.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.664 0.268 . . . . 0.0 110.859 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -61.11 108.12 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.607 2.204 . . . . 0.0 112.243 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -160.53 27.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.31 86.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.23 -158.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 456' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' W' ' 456' ' ' ASN . 9.3 p-10 -140.4 69.94 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -118.33 98.46 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.57 -37.0 79.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 459' ' ' GLY . . . . . 0.41 ' O ' ' NH1' ' W' ' 491' ' ' ARG . . . 113.76 -147.55 18.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.405 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.68 63.05 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.802 2.335 . . . . 0.0 112.234 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 461' ' ' LEU . . . . . 0.455 HD22 ' CE2' ' W' ' 477' ' ' PHE . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 462' ' ' PRO . . . . . 0.454 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 465' ' ' TRP . . . . . 0.462 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 475' ' ' VAL . . . . . 0.407 HG12 ' O ' ' W' ' 475' ' ' VAL . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 476' ' ' PHE . . . . . 0.48 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 477' ' ' PHE . . . . . 0.455 ' CE2' HD22 ' W' ' 461' ' ' LEU . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 478' ' ' ILE . . . . . 0.434 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 481' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 482' ' ' ILE . . . . . 0.434 HD12 HG23 ' W' ' 482' ' ' ILE . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 483' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 490' ' ' PRO . . . . . 0.462 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 491' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' W' ' 459' ' ' GLY . 8.3 ptm180 -74.41 -25.53 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.37 17.54 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 493' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' W' ' 493' ' ' GLN . 7.2 tp-100 -123.84 55.66 1.26 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 494' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' W' ' 495' ' ' VAL . 1.4 p-10 -163.33 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 495' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' W' ' 494' ' ' ASN . 15.9 m 42.8 62.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.76 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.6 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.071 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 47.3 pt -81.83 -28.36 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 133.75 48.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.593 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 22.4 m -73.9 -33.22 63.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.46 -39.02 17.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.11 64.11 3.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 -32.47 8.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.654 2.236 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.5 mt -128.04 93.36 39.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.26 -43.35 37.72 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.81 -83.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 40.4 p -81.1 159.78 67.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.662 0.268 . . . . 0.0 111.225 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.95 163.94 3.78 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.487 2.124 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 615' ' ' PRO . . . . . 0.48 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 618' ' ' TYR . . . . . 0.405 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.808 0.253 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' W' ' 478' ' ' ILE . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 466' ' ' GLU . . . . . 0.438 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.922 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.636 HG13 ' O ' ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.462 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' W' ' 461' ' ' LEU . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.462 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.528 0.182 0 CA-C-O 120.639 0.183 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' W' ' 478' ' ' ILE . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 621' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.82 0.258 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' W' ' 491' ' ' ARG . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.428 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.487 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.637 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.935 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' W' ' 461' ' ' LEU . 3.0 ptm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 120.757 0.232 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.431 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.935 ' HB2' HD11 ' W' ' 478' ' ' ILE . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 621' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.854 0.272 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.842 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.635 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.467 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.502 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.426 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.718 0.216 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.872 0.28 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 464' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.455 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.562 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.578 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.633 HG13 ' O ' ' W' ' 475' ' ' VAL . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.509 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.96 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.406 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 480' ' ' HIS . . . . . 0.453 ' CE1' ' CE1' ' B' ' 618' ' ' TYR . 1.5 m80 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.473 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 489' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' W' ' 490' ' ' PRO . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.75 0.229 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.96 ' HB2' HD11 ' W' ' 478' ' ' ILE . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.794 0.248 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.457 ' C ' HG23 ' W' ' 475' ' ' VAL . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.638 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' W' ' 461' ' ' LEU . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.469 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' W' W ' 484' ' ' LYS . . . . . 0.407 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.465 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 12.6 ptm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 CA-C-O 120.631 0.18 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.407 ' HB2' HD11 ' W' ' 478' ' ' ILE . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 460' ' ' PRO . . . . . 0.659 ' C ' HD12 ' W' ' 461' ' ' LEU . 17.7 Cg_exo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 121.014 0.339 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.659 HD12 ' C ' ' W' ' 460' ' ' PRO . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 466' ' ' GLU . . . . . 0.411 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.426 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 469' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.512 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.675 0.198 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.499 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' W' ' 478' ' ' ILE . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.463 -0.319 0 CA-C-O 120.788 0.245 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' W' ' 467' ' ' GLU . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.734 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.415 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.496 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.499 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.438 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.822 0.259 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.64 ' HB2' HD11 ' W' ' 478' ' ' ILE . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' W' W ' 460' ' ' PRO . . . . . 0.642 ' C ' HD12 ' W' ' 461' ' ' LEU . 37.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 121.006 0.336 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.674 ' N ' HD12 ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' W' ' 461' ' ' LEU . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.642 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.46 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.506 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.449 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.484 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 484' ' ' LYS . . . . . 0.409 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.508 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.671 0.196 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.408 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.467 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.641 HG13 ' O ' ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' W' ' 461' ' ' LEU . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.482 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.443 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.464 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.668 0.195 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.432 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' W' ' 478' ' ' ILE . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.78 0.241 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.715 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.429 ' C ' HG23 ' W' ' 475' ' ' VAL . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.51 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 480' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' W' ' 483' ' ' LYS . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.47 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.419 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 CA--C 1.527 0.137 0 CA-C-O 120.712 0.213 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.904 ' HB2' HD11 ' W' ' 478' ' ' ILE . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 464' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.449 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.534 ' HB3' HD11 ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' W' ' 467' ' ' GLU . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.495 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.446 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 486' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.413 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.41 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.76 0.233 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' W' ' 478' ' ' ILE . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.463 -0.317 0 CA-C-O 120.769 0.237 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' W' ' 467' ' ' GLU . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 464' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.718 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.524 ' O ' HG23 ' W' ' 475' ' ' VAL . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.516 ' CD2' ' HD3' ' B' ' 616' ' ' PRO . 27.6 t-80 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 474' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' W' ' 464' ' ' GLY . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.431 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' W' W ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 CA--C 1.528 0.199 0 CA-C-O 120.716 0.215 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.516 ' HD3' ' CD2' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' W' ' 478' ' ' ILE . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.828 0.262 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.497 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.543 ' O ' HG23 ' W' ' 475' ' ' VAL . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.619 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' W' W ' 484' ' ' LYS . . . . . 0.408 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 486' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 614' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.497 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 614' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' W' ' 486' ' ' GLN . 78.1 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.695 0.206 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' W' ' 478' ' ' ILE . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.743 0.226 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' W' ' 467' ' ' GLU . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.503 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.536 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 468' ' ' ARG . . . . . 0.508 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 469' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 474' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 475' ' ' VAL . . . . . 0.644 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.5 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 479' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 485' ' ' THR . . . . . 0.568 HG23 ' HB2' ' B' ' 614' ' ' PRO . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' W' W ' 491' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 614' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' W' ' 485' ' ' THR . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.209 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' W' ' 478' ' ' ILE . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 621' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.791 0.246 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' W' W ' 461' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' W' ' 467' ' ' GLU . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 462' ' ' PRO . . . . . 0.456 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 465' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 466' ' ' GLU . . . . . 0.421 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 467' ' ' GLU . . . . . 0.662 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 469' ' ' THR . . . . . 0.402 HG23 ' O ' ' W' ' 469' ' ' THR . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 470' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 474' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 476' ' ' PHE . . . . . 0.494 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 477' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' W' ' 477' ' ' PHE . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 481' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 483' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.688 0.203 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 615' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' W' W ' 451' ' ' SER . . . . . 0.446 ' O ' HG22 ' W' ' 453' ' ' VAL . 2.4 m 65.87 67.79 0.7 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.71 0.29 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.588 ' O ' HG13 ' W' ' 453' ' ' VAL . 31.1 Cg_endo -63.6 109.74 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.61 2.207 . . . . 0.0 112.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.588 HG13 ' O ' ' W' ' 452' ' ' PRO . 10.7 m -160.76 158.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.25 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.2 t -74.2 -54.07 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -143.52 62.37 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.64 134.67 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' W' ' 458' ' ' LEU . 39.1 mt -120.7 -41.66 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 98.6 -107.22 3.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 55.98 5.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' W' ' 478' ' ' ILE . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 466' ' ' GLU . . . . . 0.438 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.922 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.462 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' W' ' 461' ' ' LEU . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.462 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -73.58 -21.6 60.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -36.57 21.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -75.93 74.67 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' N ' ' OD1' ' W' ' 494' ' ' ASN . 12.4 p-10 -163.64 135.78 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.579 HG22 ' O ' ' W' ' 495' ' ' VAL . 11.2 p -159.65 32.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.481 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.83 151.93 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.481 HG23 ' O ' ' W' ' 496' ' ' ALA . 2.5 pp -158.28 -179.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.31 131.23 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -82.16 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -71.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.294 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.468 HD21 ' CA ' ' B' ' 611' ' ' PRO . 0.6 OUTLIER -55.41 107.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.55 -36.65 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.59 2.193 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 15.9 mt -125.82 101.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.093 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.468 ' CA ' HD21 ' B' ' 608' ' ' LEU . 37.4 Cg_endo -66.13 -45.32 5.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.378 2.052 . . . . 0.0 112.257 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.62 -33.33 2.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 43.0 p -70.56 141.04 87.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.71 168.62 14.62 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.546 2.164 . . . . 0.0 112.193 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' W' ' 478' ' ' ILE . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 621' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' W' W ' 451' ' ' SER . . . . . 0.842 ' O ' HG22 ' W' ' 453' ' ' VAL . 0.7 OUTLIER -160.38 152.3 16.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.59 ' O ' HG13 ' W' ' 453' ' ' VAL . 63.3 Cg_exo -51.02 97.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.592 2.195 . . . . 0.0 112.385 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.842 HG22 ' O ' ' W' ' 451' ' ' SER . 9.7 m -160.73 66.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.61 35.26 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.779 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -73.9 -44.12 56.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -117.94 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -114.94 135.84 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 30.8 mt -155.55 129.85 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -99.73 -101.02 2.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 59.4 2.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.555 2.17 . . . . 0.0 112.232 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' W' ' 491' ' ' ARG . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.428 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.487 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.637 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.935 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' W' ' 461' ' ' LEU . 3.0 ptm180 -73.87 -16.32 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.7 tpt -82.57 -15.86 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.62 62.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 48.8 m-80 -76.89 -72.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 33.6 m -158.75 42.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.201 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' W' ' 497' ' ' ILE . . . -168.81 171.01 8.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' W' ' 496' ' ' ALA . 23.2 mt -157.41 -71.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 498' ' ' THR . . . . . 0.465 ' O ' HG23 ' W' ' 498' ' ' THR . 10.5 t -78.0 123.96 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.461 -1.189 . . . . 0.0 112.578 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 -39.37 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 7.6 p -64.63 -61.68 2.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.45 ' O ' HD23 ' B' ' 608' ' ' LEU . 0.5 OUTLIER 49.83 58.33 17.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.79 -31.44 25.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.58 2.187 . . . . 0.0 112.233 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 58.7 mt -113.67 87.04 11.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.29 -38.55 64.53 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.132 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.6 -97.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 33.9 p -117.22 157.14 47.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.193 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.98 159.39 12.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.543 2.162 . . . . 0.0 112.23 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.431 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.935 ' HB2' HD11 ' W' ' 478' ' ' ILE . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 621' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.75 144.68 16.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.92 83.88 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.563 2.175 . . . . 0.0 112.177 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 26.9 m -79.47 -35.94 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.66 74.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 79.7 p -74.94 -63.48 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -93.02 135.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.17 88.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 25.3 mt -109.16 -37.57 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 87.88 -113.03 3.95 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.34 59.63 5.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.436 2.09 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.842 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.635 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.467 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.502 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -73.68 -15.45 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 3.0 tpt -83.18 -27.92 29.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 493' ' ' GLN . . . . . 0.516 ' OE1' HG21 ' W' ' 497' ' ' ILE . 0.0 OUTLIER -88.53 64.92 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.91 -62.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.176 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.578 ' O ' HG13 ' W' ' 495' ' ' VAL . 7.4 p -160.05 78.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.499 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.52 75.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.887 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.516 HG21 ' OE1' ' W' ' 493' ' ' GLN . 0.7 OUTLIER -157.68 52.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 38.1 p -65.9 113.32 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.8 t -161.59 -53.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 0.0 110.772 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.426 ' HB ' ' HD3' ' B' ' 609' ' ' PRO . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.312 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' B' ' 611' ' ' PRO . 0.5 OUTLIER 58.19 62.66 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.426 ' HD3' ' HB ' ' B' ' 607' ' ' THR . 56.8 Cg_endo -70.97 -31.99 14.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.19 80.12 69.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.52 ' HB3' HD21 ' B' ' 608' ' ' LEU . 36.6 Cg_endo -65.68 -39.31 21.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.536 2.157 . . . . 0.0 112.438 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 32.9 -97.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 113.839 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 21.1 p -144.66 90.25 6.48 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.4 152.86 44.2 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 56.0 p -61.04 149.64 81.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 110.722 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 176.94 6.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.522 2.148 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.96 -24.16 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.14 132.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 15.9 p -166.18 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 456' ' ' ASN . . . . . 0.439 HD21 HD11 ' W' ' 458' ' ' LEU . 9.8 t-20 -155.44 -73.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.39 91.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.439 HD11 HD21 ' W' ' 456' ' ' ASN . 66.4 mt -115.37 -26.02 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 459' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' W' ' 461' ' ' LEU . . . 87.97 -148.83 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.56 71.01 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.173 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 464' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.455 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.562 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.578 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.633 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.509 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.96 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.406 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 480' ' ' HIS . . . . . 0.453 ' CE1' ' CE1' ' B' ' 618' ' ' TYR . 1.5 m80 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 489' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' W' ' 490' ' ' PRO . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.429 ' HB2' HD12 ' W' ' 458' ' ' LEU . 8.2 ptm180 -74.17 -13.84 60.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -35.04 25.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.06 122.31 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -163.01 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.766 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.463 ' O ' HG12 ' W' ' 495' ' ' VAL . 9.8 t 70.81 42.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.96 -160.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.87 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.464 HG22 ' O ' ' W' ' 497' ' ' ILE . 13.3 mm 57.16 37.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.069 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 9.8 t -80.69 134.17 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 63.3 m -98.8 -33.39 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 3.1 m 76.77 -68.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.231 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.4 tp 54.88 62.63 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.785 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.78 -33.09 5.18 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.646 2.23 . . . . 0.0 112.597 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 59.0 mt -129.91 84.55 60.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.295 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -61.88 -59.29 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.93 -82.91 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.371 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 5.3 p -136.7 140.38 31.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.663 0.268 . . . . 0.0 111.015 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.12 153.4 21.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.246 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.96 ' HB2' HD11 ' W' ' 478' ' ' ILE . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' W' W ' 451' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' W' ' 452' ' ' PRO . 0.4 OUTLIER 173.8 -53.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.647 0.261 . . . . 0.0 110.72 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.554 ' O ' HG22 ' W' ' 453' ' ' VAL . 77.9 Cg_exo -49.93 139.45 33.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.147 . . . . 0.0 112.295 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.554 HG22 ' O ' ' W' ' 452' ' ' PRO . 16.5 m 45.45 -172.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.608 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 17.8 t70 56.51 29.26 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.4 t -166.51 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.76 142.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -108.94 74.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 105.74 -147.49 16.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.694 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.0 66.63 3.3 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.55 2.167 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.457 ' C ' HG23 ' W' ' 475' ' ' VAL . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.638 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' W' ' 461' ' ' LEU . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.469 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.4 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 484' ' ' LYS . . . . . 0.407 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.465 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.42 ' O ' ' ND2' ' W' ' 494' ' ' ASN . 12.6 ptm180 -74.07 -23.4 59.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -23.65 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.17 81.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.159 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.493 ' O ' HG12 ' W' ' 495' ' ' VAL . 8.3 p30 -164.77 -45.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.588 HG22 ' O ' ' W' ' 495' ' ' VAL . 14.0 p 44.39 42.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.514 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.87 179.99 3.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.422 ' O ' ' CG1' ' W' ' 497' ' ' ILE . 0.4 OUTLIER -86.11 56.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 2.8 p -96.55 132.9 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.453 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.7 -48.58 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.63 -60.42 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 52.1 61.51 12.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 -31.32 31.11 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 26.0 mt -134.1 97.37 15.1 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.35 -45.62 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.6 2.2 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.16 -54.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 6.0 p -91.67 135.21 27.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.68 160.24 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.414 2.076 . . . . 0.0 112.169 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.407 ' HB2' HD11 ' W' ' 478' ' ' ILE . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 621' ' ' LEU . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' W' W ' 451' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' W' ' 452' ' ' PRO . 0.1 OUTLIER -80.1 -53.9 0.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' W' ' 451' ' ' SER . 50.6 Cg_exo -53.54 105.21 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.221 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' W' ' 454' ' ' ASP . 15.0 p -78.97 -23.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 454' ' ' ASP . . . . . 0.423 ' CG ' HG13 ' W' ' 453' ' ' VAL . 11.0 m-20 -122.58 -162.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 455' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 0.3 OUTLIER 80.44 -71.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 54.08 175.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -118.38 99.19 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 33.6 mt -93.6 -24.74 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 100.68 -148.73 18.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.202 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 460' ' ' PRO . . . . . 0.659 ' C ' HD12 ' W' ' 461' ' ' LEU . 17.7 Cg_exo -65.73 69.54 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.609 2.206 . . . . 0.0 112.045 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.659 HD12 ' C ' ' W' ' 460' ' ' PRO . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 466' ' ' GLU . . . . . 0.411 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.426 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 469' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.512 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -74.78 -23.79 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -95.59 65.66 2.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -76.82 -64.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.458 ' O ' HG12 ' W' ' 495' ' ' VAL . 4.2 t 60.16 30.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.05 117.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.593 HG22 ' H ' ' W' ' 498' ' ' THR . 0.9 OUTLIER -82.45 177.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' W' W ' 498' ' ' THR . . . . . 0.593 ' H ' HG22 ' W' ' 497' ' ' ILE . 12.6 t -101.86 145.99 28.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 62.0 m -88.87 -31.11 18.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -66.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.3 tp 49.42 64.41 8.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.68 -34.01 20.08 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.224 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 53.8 mt -128.5 94.13 36.26 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.73 -59.85 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.569 2.179 . . . . 0.0 112.229 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.24 -65.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.55 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 71.7 p -76.31 138.42 67.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.261 . . . . 0.0 111.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.92 167.56 26.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.536 2.158 . . . . 0.0 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.499 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' W' ' 478' ' ' ILE . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 91.3 p -121.04 160.12 46.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.54 -50.39 8.28 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.464 ' O ' HG13 ' W' ' 453' ' ' VAL . 7.1 p -79.32 120.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.19 95.85 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.9 p -166.16 -159.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.713 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.28 97.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.71 71.34 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.878 HD22 ' HB2' ' W' ' 491' ' ' ARG . 4.3 pp -83.75 -40.2 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 459' ' ' GLY . . . . . 0.612 ' N ' HD12 ' W' ' 458' ' ' LEU . . . 61.46 -110.71 3.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.846 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.8 69.17 8.05 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.423 2.082 . . . . 0.0 111.725 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' W' ' 467' ' ' GLU . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.734 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.415 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.496 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.499 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 489' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' W' ' 492' ' ' MET . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.438 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.878 ' HB2' HD22 ' W' ' 458' ' ' LEU . 8.2 ptm180 -74.27 -25.49 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 492' ' ' MET . . . . . 0.413 ' HB2' ' HB3' ' W' ' 489' ' ' ASP . 0.0 OUTLIER -85.63 -24.93 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.88 71.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.505 ' O ' HG12 ' W' ' 495' ' ' VAL . 10.7 m120 -76.86 -78.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.602 HG22 ' O ' ' W' ' 495' ' ' VAL . 12.5 p 44.03 37.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.597 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' W' ' 495' ' ' VAL . . . 82.13 173.27 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 8.1 mt 67.01 -68.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' W' W ' 498' ' ' THR . . . . . 0.408 ' N ' ' O ' ' W' ' 496' ' ' ALA . 0.2 OUTLIER -89.89 112.41 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 38.7 m -101.48 -35.48 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.786 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 607' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' B' ' 609' ' ' PRO . 0.2 OUTLIER -85.93 -50.24 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' ' 611' ' ' PRO . 1.0 OUTLIER -107.13 76.77 0.49 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 609' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 607' ' ' THR . 74.2 Cg_endo -74.56 -31.89 6.59 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.625 2.217 . . . . 0.0 112.397 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.68 97.1 10.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.695 ' HB3' HD21 ' B' ' 608' ' ' LEU . 50.6 Cg_endo -68.89 -38.97 8.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.608 2.205 . . . . 0.0 112.319 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.83 -83.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.415 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 10.3 p -125.11 96.35 39.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.21 154.33 23.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.64 ' HB2' HD11 ' W' ' 478' ' ' ILE . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -168.96 83.93 0.67 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.703 0.287 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' W' ' 453' ' ' VAL . 52.4 Cg_exo -55.03 -26.42 49.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.576 2.184 . . . . 0.0 112.398 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' W' ' 452' ' ' PRO . 60.8 t -158.53 -51.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -174.25 67.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.062 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -34.98 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.51 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.183 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.09 68.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.83 -29.62 70.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 73.54 -134.68 19.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.326 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 460' ' ' PRO . . . . . 0.642 ' C ' HD12 ' W' ' 461' ' ' LEU . 37.9 Cg_endo -65.6 76.5 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.53 2.153 . . . . 0.0 112.503 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.674 ' N ' HD12 ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' W' ' 461' ' ' LEU . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.46 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.506 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.449 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.484 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 484' ' ' LYS . . . . . 0.409 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.2 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.508 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -74.97 -15.94 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.87 -38.78 20.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.29 104.8 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.89 -63.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.624 HG22 ' O ' ' W' ' 495' ' ' VAL . 14.6 p -159.95 38.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.531 ' O ' HG23 ' W' ' 497' ' ' ILE . . . 37.62 87.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.127 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.531 HG23 ' O ' ' W' ' 496' ' ' ALA . 7.9 pt -158.56 58.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 1.3 m -119.6 124.35 46.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.466 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 4.4 t 62.33 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.3 m -83.74 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.26 59.67 16.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 -33.3 28.74 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 67.0 mt -112.97 88.82 12.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.44 -60.25 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.591 2.194 . . . . 0.0 112.38 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.99 -98.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.8 p -103.06 145.95 31.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -48.08 174.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.408 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.03 174.83 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.728 0.299 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.516 ' O ' HG13 ' W' ' 453' ' ' VAL . 41.8 Cg_exo -57.31 165.86 5.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.653 2.235 . . . . 0.0 112.491 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.516 HG13 ' O ' ' W' ' 452' ' ' PRO . 4.8 m -159.7 -43.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.806 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 454' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' W' ' 455' ' ' SER . 8.1 p-10 -132.5 -45.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.673 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 455' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 1.2 t 80.84 -65.32 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.056 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 65.4 107.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.545 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.79 144.1 27.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.45 ' HA ' HD23 ' W' ' 458' ' ' LEU . 8.2 mt -129.3 -43.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 120.46 -149.44 17.6 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.81 61.77 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.832 2.355 . . . . 0.0 112.281 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.467 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.641 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' W' ' 461' ' ' LEU . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.482 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.443 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.464 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -73.57 -15.37 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -29.24 28.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -75.42 65.26 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -76.47 -51.48 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' W' ' 496' ' ' ALA . 59.7 t -81.74 -26.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' W' ' 495' ' ' VAL . . . 82.51 -65.25 0.11 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.9 pt -81.54 -179.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' W' W ' 498' ' ' THR . . . . . 0.406 ' O ' HG23 ' W' ' 498' ' ' THR . 9.4 t -85.52 125.35 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.184 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.483 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 79.7 p -159.96 -72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.0 m -133.77 -40.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.501 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' B' ' 611' ' ' PRO . 1.2 tp -110.75 71.09 0.68 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.21 -37.23 2.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 0.0 112.291 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -152.48 93.56 3.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.524 ' HG3' HD21 ' B' ' 608' ' ' LEU . 52.3 Cg_exo -52.94 -59.62 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.48 2.12 . . . . 0.0 112.201 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.7 -98.3 0.51 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.28 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 24.7 p -145.04 96.11 5.04 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.268 . . . . 0.0 110.847 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.73 162.3 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.639 2.226 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.432 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' W' ' 478' ' ' ILE . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.84 86.57 7.75 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.44 65.23 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.622 2.215 . . . . 0.0 112.147 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.57 -25.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -148.75 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 23.8 p -74.43 -24.47 59.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -137.56 128.33 27.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.21 115.78 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' W' ' 491' ' ' ARG . 7.3 mt -104.42 -49.99 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.088 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 97.45 -104.72 3.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.71 57.7 6.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.411 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.715 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.429 ' C ' HG23 ' W' ' 475' ' ' VAL . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.51 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 480' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' W' ' 483' ' ' LYS . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 487' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' B' ' 611' ' ' PRO . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.47 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.497 ' HB2' HD12 ' W' ' 458' ' ' LEU . 8.2 ptm180 -73.93 -14.08 61.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.27 25.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.75 -56.72 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.06 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.18 85.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -72.07 164.87 25.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 46.7 pt -81.97 -25.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.7 142.59 34.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.3 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 43.4 p -68.82 -32.12 71.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.657 ' O ' HD23 ' B' ' 608' ' ' LEU . 3.0 tt -116.92 67.37 4.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.055 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.66 -33.63 2.24 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.688 2.259 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.2 pt -151.0 88.84 4.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.638 ' HG3' HD21 ' B' ' 608' ' ' LEU . 68.5 Cg_exo -51.56 -57.17 2.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.622 2.215 . . . . 0.0 112.41 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.84 -70.45 0.49 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.626 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.3 p -118.94 136.69 24.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.62 0.248 . . . . 0.0 111.24 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.5 153.76 33.54 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.521 2.147 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.904 ' HB2' HD11 ' W' ' 478' ' ' ILE . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.09 161.73 39.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.699 0.285 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 98.91 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 14.8 t -157.89 -55.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -89.28 54.15 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 3.1 m -73.84 -52.77 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -86.41 167.55 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.79 114.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 63.5 mt -106.33 -34.04 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.11 -108.39 3.67 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 58.41 3.1 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.488 2.126 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 464' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.449 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.534 ' HB3' HD11 ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' W' ' 467' ' ' GLU . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.495 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.446 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 486' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.413 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.41 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 3.0 ptm180 -75.07 -22.6 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -21.05 27.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -73.64 61.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.341 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.25 90.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 3.5 t -157.18 87.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 496' ' ' ALA . . . . . 0.504 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.84 138.49 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.504 HG23 ' O ' ' W' ' 496' ' ' ALA . 0.5 OUTLIER -158.56 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.357 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 91.9 m -130.74 131.29 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 20.7 t -68.21 -18.83 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.63 0.253 . . . . 0.0 111.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -73.68 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 111.437 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.41 60.65 1.51 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.57 -40.87 5.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.659 2.239 . . . . 0.0 112.573 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 pt -151.63 92.38 3.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.15 -39.61 51.47 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.586 2.191 . . . . 0.0 112.272 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.72 -40.47 1.51 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 15.1 p -115.49 140.83 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.56 171.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.41 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' W' ' 478' ' ' ILE . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 97.8 p -169.76 94.14 0.51 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.81 68.35 7.19 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.656 2.237 . . . . 0.0 112.421 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.01 -52.68 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.1 148.26 38.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 25.2 p -165.79 31.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.54 170.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.74 116.22 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 458' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' W' ' 458' ' ' LEU . 25.8 mt -104.75 -35.53 7.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.62 -110.01 3.93 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.66 63.05 7.98 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.66 2.24 . . . . 0.0 112.572 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' W' ' 467' ' ' GLU . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 464' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.718 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.524 ' O ' HG23 ' W' ' 475' ' ' VAL . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.516 ' CD2' ' HD3' ' B' ' 616' ' ' PRO . 27.6 t-80 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 474' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.406 ' HA ' ' O ' ' W' ' 464' ' ' GLY . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.431 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' W' W ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 -24.25 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -29.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.7 -44.07 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -76.24 134.55 39.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.042 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.414 ' O ' HG12 ' W' ' 495' ' ' VAL . 19.9 t 68.07 57.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.253 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.92 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.518 HG22 ' O ' ' W' ' 497' ' ' ILE . 2.4 mt 53.94 54.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.075 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 19.8 p -73.85 126.21 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.542 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.12 -25.51 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -51.22 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 608' ' ' LEU . . . . . 0.563 HD21 ' HG3' ' B' ' 611' ' ' PRO . 4.4 tp -41.0 100.16 0.22 Allowed Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.582 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.73 -37.2 3.12 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.536 2.158 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -150.07 111.62 3.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.38 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 611' ' ' PRO . . . . . 0.563 ' HG3' HD21 ' B' ' 608' ' ' LEU . 33.1 Cg_exo -57.9 -52.21 6.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.294 1.996 . . . . 0.0 112.216 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.7 -77.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.672 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 66.9 p -57.04 132.19 80.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.5 158.5 15.71 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.246 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.516 ' HD3' ' CD2' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' W' ' 478' ' ' ILE . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 69.44 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.77 123.83 7.12 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.96 -63.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -125.02 -40.8 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m 41.25 -159.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -128.36 71.04 1.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.55 111.32 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.23 -30.32 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 104.89 -136.43 13.1 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.93 63.22 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.497 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.543 ' O ' HG23 ' W' ' 475' ' ' VAL . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.619 HG13 ' O ' ' W' ' 475' ' ' VAL . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 484' ' ' LYS . . . . . 0.408 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 486' ' ' GLN . . . . . 0.402 ' HA ' ' HB3' ' B' ' 614' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.497 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -74.48 -24.45 59.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 2.4 tpp -85.7 -25.92 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -99.81 57.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.76 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.45 -61.29 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 51.51 84.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.95 119.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.558 HG22 ' O ' ' W' ' 497' ' ' ILE . 2.5 mp 62.11 56.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 76.4 p -81.73 129.67 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.516 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 -49.82 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 63.3 p -130.57 -45.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.67 108.79 1.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.84 -43.38 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.462 2.108 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 34.1 mt -136.73 118.94 11.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.71 -45.1 2.48 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.374 2.049 . . . . 0.0 112.393 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.67 -94.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 161.3 55.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.69 0.281 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 614' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' W' ' 486' ' ' GLN . 78.1 Cg_exo -50.29 -176.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.497 2.131 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' W' ' 478' ' ' ILE . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.43 88.62 16.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.423 ' C ' HG23 ' W' ' 453' ' ' VAL . 48.0 Cg_endo -68.74 -35.09 17.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.591 2.194 . . . . 0.0 112.418 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.454 HG12 ' O ' ' W' ' 453' ' ' VAL . 4.2 t 73.52 31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.79 33.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 2.9 t -74.57 -158.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -50.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 133.42 55.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.06 136.21 49.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -96.51 -101.78 2.0 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.94 60.89 4.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.537 2.158 . . . . 0.0 112.429 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' W' ' 467' ' ' GLU . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.503 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.536 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 468' ' ' ARG . . . . . 0.508 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 469' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 474' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 475' ' ' VAL . . . . . 0.644 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.5 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 479' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 485' ' ' THR . . . . . 0.568 HG23 ' HB2' ' B' ' 614' ' ' PRO . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 489' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' W' ' 492' ' ' MET . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER -74.7 -26.6 59.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 492' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' W' ' 489' ' ' ASP . 0.4 OUTLIER -84.71 -29.89 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -75.78 95.22 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.519 ' O ' HG12 ' W' ' 495' ' ' VAL . 4.0 p-10 -163.3 134.51 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.586 HG22 ' O ' ' W' ' 495' ' ' VAL . 11.6 p 44.48 35.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.422 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.75 127.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 497' ' ' ILE . . . . . 0.614 HG22 ' O ' ' W' ' 497' ' ' ILE . 2.0 mp 54.31 23.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 50.5 p -96.48 144.45 26.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.532 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.65 -48.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 36.8 m -102.26 -35.41 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 9.1 tp -112.99 74.57 1.79 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.53 -40.12 2.32 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 112.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.9 pt -152.84 98.43 2.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.14 -50.25 3.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.629 2.219 . . . . 0.0 112.206 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.71 -35.89 0.19 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.122 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 17.7 p -56.61 149.88 38.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.805 0.303 . . . . 0.0 111.222 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 614' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' W' ' 485' ' ' THR . 15.0 Cg_endo -57.26 179.55 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.742 2.294 . . . . 0.0 112.453 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' W' ' 478' ' ' ILE . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 621' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' W' W ' 451' ' ' SER . . . . . 0.654 ' O ' HG22 ' W' ' 453' ' ' VAL . 15.3 t -57.7 150.77 45.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.664 0.268 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 452' ' ' PRO . . . . . 0.542 ' O ' HG13 ' W' ' 453' ' ' VAL . 32.4 Cg_exo -61.11 108.12 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.607 2.204 . . . . 0.0 112.243 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 453' ' ' VAL . . . . . 0.654 HG22 ' O ' ' W' ' 451' ' ' SER . 0.3 OUTLIER -160.53 27.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.31 86.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.23 -158.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 456' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' W' ' 456' ' ' ASN . 9.3 p-10 -140.4 69.94 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -118.33 98.46 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.57 -37.0 79.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 459' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' W' ' 461' ' ' LEU . . . 113.76 -147.55 18.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.405 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.68 63.05 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.802 2.335 . . . . 0.0 112.234 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 461' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' W' ' 467' ' ' GLU . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 462' ' ' PRO . . . . . 0.456 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 465' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 466' ' ' GLU . . . . . 0.421 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 467' ' ' GLU . . . . . 0.662 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 469' ' ' THR . . . . . 0.402 HG23 ' O ' ' W' ' 469' ' ' THR . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 470' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 474' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 476' ' ' PHE . . . . . 0.494 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 477' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' W' ' 477' ' ' PHE . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 481' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 483' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 491' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' W' ' 459' ' ' GLY . 8.3 ptm180 -74.41 -25.53 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.37 17.54 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -123.84 55.66 1.26 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.065 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 494' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' W' ' 495' ' ' VAL . 1.4 p30 -163.33 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 495' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' W' ' 494' ' ' ASN . 15.9 m 42.8 62.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.76 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.6 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.071 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 47.3 pt -81.83 -28.36 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 133.75 48.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.593 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 22.4 m -73.9 -33.22 63.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.46 -39.02 17.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.11 64.11 3.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 -32.47 8.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.654 2.236 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.5 mt -128.04 93.36 39.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.26 -43.35 37.72 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.81 -83.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 40.4 p -81.1 159.78 67.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.662 0.268 . . . . 0.0 111.225 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.95 163.94 3.78 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.487 2.124 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 615' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo . . . . . 0 N--CA 1.465 -0.19 0 CA-C-O 120.808 0.253 . . . . 0.0 112.436 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' W' ' 478' ' ' ILE . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . 0.438 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.922 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.462 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' W' ' 461' ' ' LEU . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.421 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.462 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 CA--C 1.528 0.182 0 CA-C-O 120.639 0.183 . . . . 0.0 112.193 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' W' ' 478' ' ' ILE . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 621' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.82 0.258 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' W' ' 491' ' ' ARG . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.428 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.487 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.637 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.935 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' W' ' 461' ' ' LEU . 3.0 ptm180 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 CA--C 1.528 0.178 0 CA-C-O 120.757 0.232 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.431 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.935 ' HB2' HD11 ' W' ' 478' ' ' ILE . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 621' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.854 0.272 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.842 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.635 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.467 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.502 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 2.0 m-80 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.426 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo . . . . . 0 C--O 1.231 0.135 0 CA-C-O 120.718 0.216 . . . . 0.0 112.354 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.872 0.28 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.455 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.562 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.578 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.633 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.509 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.96 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.434 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . 0.426 ' CE1' ' CZ ' ' B' ' 618' ' ' TYR . 1.1 m-70 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.4 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' W' ' 490' ' ' PRO . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo . . . . . 0 CA--C 1.528 0.183 0 CA-C-O 120.75 0.229 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.96 ' HB2' HD11 ' W' ' 478' ' ' ILE . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo . . . . . 0 N--CA 1.465 -0.2 0 CA-C-O 120.794 0.248 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.457 ' C ' HG23 ' W' ' 475' ' ' VAL . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.638 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' W' ' 461' ' ' LEU . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.469 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.429 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.9 m-80 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.476 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . 0.407 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.434 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.465 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.413 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 12.6 ptm180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo . . . . . 0 CA--C 1.527 0.171 0 CA-C-O 120.631 0.18 . . . . 0.0 112.169 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.407 ' HB2' HD11 ' W' ' 478' ' ' ILE . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.446 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . 0.659 ' C ' HD12 ' W' ' 461' ' ' LEU . 17.7 Cg_exo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 121.014 0.339 . . . . 0.0 112.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.659 HD12 ' C ' ' W' ' 460' ' ' PRO . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . 0.411 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.426 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.512 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.6 m-80 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.417 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.675 0.198 . . . . 0.0 112.373 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.499 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' W' ' 478' ' ' ILE . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo . . . . . 0 N--CA 1.463 -0.319 0 CA-C-O 120.788 0.245 . . . . 0.0 111.725 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' W' ' 467' ' ' GLU . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.734 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.415 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.496 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.499 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.0 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.438 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.404 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo . . . . . 0 C--O 1.232 0.181 0 CA-C-O 120.822 0.259 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.64 ' HB2' HD11 ' W' ' 478' ' ' ILE . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . 0.642 ' C ' HD12 ' W' ' 461' ' ' LEU . 37.9 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 121.006 0.336 . . . . 0.0 112.503 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.674 HD12 ' N ' ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' W' ' 461' ' ' LEU . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.46 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.506 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.449 ' O ' HG23 ' W' ' 478' ' ' ILE . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.484 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . 0.409 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.508 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo . . . . . 0 N--CA 1.464 -0.215 0 CA-C-O 120.671 0.196 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.408 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.281 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.467 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.641 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' W' ' 461' ' ' LEU . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.482 ' O ' HG23 ' W' ' 478' ' ' ILE . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.443 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.464 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo . . . . . 0 N--CA 1.463 -0.321 0 CA-C-O 120.668 0.195 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.432 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' W' ' 478' ' ' ILE . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo . . . . . 0 N--CA 1.463 -0.314 0 CA-C-O 120.78 0.241 . . . . 0.0 112.411 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.715 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.429 ' C ' HG23 ' W' ' 475' ' ' VAL . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.51 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' W' ' 483' ' ' LYS . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.47 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.419 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 8.2 ptm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo . . . . . 0 CA--C 1.527 0.137 0 CA-C-O 120.712 0.213 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.904 ' HB2' HD11 ' W' ' 478' ' ' ILE . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo . . . . . 0 C--O 1.231 0.141 0 CA-C-O 120.824 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.449 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.534 ' HB3' HD11 ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' W' ' 467' ' ' GLU . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.495 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.446 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.413 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.41 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 3.0 ptm180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.76 0.233 . . . . 0.0 112.41 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' W' ' 478' ' ' ILE . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo . . . . . 0 N--CA 1.463 -0.317 0 CA-C-O 120.769 0.237 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' W' ' 467' ' ' GLU . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.718 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.524 ' O ' HG23 ' W' ' 475' ' ' VAL . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 57.2 t60 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.441 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 3.6 m-80 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.431 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo . . . . . 0 CA--C 1.528 0.199 0 CA-C-O 120.716 0.215 . . . . 0.0 112.246 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.49 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' W' ' 478' ' ' ILE . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.828 0.262 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.497 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.543 ' O ' HG23 ' W' ' 475' ' ' VAL . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.619 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.439 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.2 m-80 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . 0.408 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.497 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' W' ' 486' ' ' GLN . 78.1 Cg_exo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.695 0.206 . . . . 0.0 112.474 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' W' ' 478' ' ' ILE . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo . . . . . 0 N--CA 1.466 -0.12 0 CA-C-O 120.743 0.226 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' W' ' 467' ' ' GLU . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.503 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.536 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . 0.508 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . 0.644 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.5 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . 0.568 HG23 ' HB2' ' B' ' 614' ' ' PRO . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' W' ' 485' ' ' THR . 15.0 Cg_endo . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.702 0.209 . . . . 0.0 112.453 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' W' ' 478' ' ' ILE . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo . . . . . 0 C--O 1.232 0.203 0 CA-C-O 120.791 0.246 . . . . 0.0 112.234 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' W' W ' 461' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' W' ' 467' ' ' GLU . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 462' ' ' PRO . . . . . 0.456 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 465' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 466' ' ' GLU . . . . . 0.421 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 467' ' ' GLU . . . . . 0.662 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 469' ' ' THR . . . . . 0.402 HG23 ' O ' ' W' ' 469' ' ' THR . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 470' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 474' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 476' ' ' PHE . . . . . 0.494 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 477' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' W' ' 477' ' ' PHE . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 481' ' ' ASN . . . . . 0.484 ' N ' ' ND2' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 483' ' ' LYS . . . . . 0.481 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo . . . . . 0 C--O 1.231 0.154 0 CA-C-O 120.688 0.203 . . . . 0.0 112.319 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 615' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.182 0 N-CA-C 112.545 -0.222 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . 0.446 ' O ' HG22 ' W' ' 453' ' ' VAL . 2.4 m 65.87 67.79 0.7 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 120.71 0.29 . . . . 0.0 110.928 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.588 ' O ' HG13 ' W' ' 453' ' ' VAL . 31.1 Cg_endo -63.6 109.74 1.1 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.61 2.207 . . . . 0.0 112.282 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.588 HG13 ' O ' ' W' ' 452' ' ' PRO . 10.7 m -160.76 158.2 2.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.162 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.25 42.92 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.046 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.2 t -74.2 -54.07 8.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 12.3 p30 -143.52 62.37 1.37 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.892 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -134.64 134.67 41.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.845 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' W' ' 458' ' ' LEU . 39.1 mt -120.7 -41.66 2.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.777 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 98.6 -107.22 3.39 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.8 55.98 5.1 Favored 'Trans proline' 0 C--N 1.345 0.374 0 C-N-CA 122.504 2.136 . . . . 0.0 112.436 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.922 HD11 ' HB3' ' W' ' 467' ' ' GLU . 10.9 mt 57.16 170.16 0.05 OUTLIER Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.107 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 13.9 Cg_exo -69.02 178.88 3.7 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.828 2.352 . . . . 0.0 111.979 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 59.0 Cg_endo -71.65 133.14 21.58 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.478 2.119 . . . . 0.0 112.357 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.65 -7.33 65.76 Favored Glycine 0 CA--C 1.52 0.357 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.95 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' W' ' 478' ' ' ILE . 71.6 m95 -92.04 166.4 12.7 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.032 0.444 . . . . 0.0 111.281 -179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . 0.438 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.48 143.88 25.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.886 -179.311 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.922 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.6 pt-20 -94.0 102.48 14.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.807 0.337 . . . . 0.0 110.351 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.8 mmp_? -105.79 142.89 34.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.934 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.1 p -85.49 125.99 33.48 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.225 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 44.9 t60 -77.91 158.38 29.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.835 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -22.04 26.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.376 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 35.0 m-20 -88.62 -12.78 41.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.33 -18.7 30.17 Favored Glycine 0 C--N 1.331 0.3 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.671 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.27 122.16 25.35 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.712 0.291 . . . . 0.0 110.59 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.8 p -79.08 111.38 15.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.897 0.379 . . . . 0.0 111.322 -179.601 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.462 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 52.3 p90 -92.23 176.61 6.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.005 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.573 ' CE2' HD22 ' W' ' 461' ' ' LEU . 16.3 m-85 -106.67 148.05 28.82 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.056 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.479 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.7 tt -145.47 127.55 9.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.504 -0.316 . . . . 0.0 111.174 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.421 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 30.0 p-10 -94.41 150.47 20.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.703 0.287 . . . . 0.0 110.728 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -109.72 17.1 21.62 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.778 -179.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.421 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -88.11 -46.42 9.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.939 0.399 . . . . 0.0 110.501 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.3 pt -130.87 25.67 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.654 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.446 ' HE3' ' CE2' ' B' ' 618' ' ' TYR . 4.0 mmtt 42.7 75.48 0.09 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.443 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -151.5 115.34 4.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.036 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.462 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 3.4 t -96.04 169.88 9.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.955 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -158.55 148.72 19.81 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-O 120.875 0.369 . . . . 0.0 110.938 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -72.59 -42.76 64.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.993 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 6.6 mp0 -61.58 174.09 0.84 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.045 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -105.86 113.33 63.93 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.715 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -75.32 -33.26 4.41 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.421 2.081 . . . . 0.0 112.614 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -73.58 -21.6 60.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.201 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.6 -36.57 21.96 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.986 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -75.93 74.67 2.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.819 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' OD1' ' N ' ' W' ' 494' ' ' ASN . 12.4 p-10 -163.64 135.78 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.908 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.579 ' O ' HG22 ' W' ' 495' ' ' VAL . 11.2 p -159.65 32.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.101 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.481 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.83 151.93 5.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.844 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.481 HG23 ' O ' ' W' ' 496' ' ' ALA . 2.5 pp -158.28 -179.41 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.129 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.31 131.23 48.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.125 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.019 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.453 -179.934 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.252 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -82.16 -67.7 0.76 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.859 0.361 . . . . 0.0 110.894 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 69.09 -71.94 0.11 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.294 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.468 HD21 ' CA ' ' B' ' 611' ' ' PRO . 0.6 OUTLIER -55.41 107.78 0.98 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.968 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -83.55 -36.65 0.19 Allowed 'Trans proline' 0 C--N 1.347 0.452 0 C-N-CA 122.59 2.193 . . . . 0.0 112.486 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 15.9 mt -125.82 101.9 29.17 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.093 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.468 ' CA ' HD21 ' B' ' 608' ' ' LEU . 37.4 Cg_endo -66.13 -45.32 5.89 Favored 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.378 2.052 . . . . 0.0 112.257 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.62 -33.33 2.36 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.659 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 43.0 p -70.56 141.04 87.45 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 120.697 0.284 . . . . 0.0 111.158 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.71 168.62 14.62 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.546 2.164 . . . . 0.0 112.193 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.427 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 52.0 Cg_exo -54.4 -175.41 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.482 2.121 . . . . 0.0 112.434 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.427 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 24.6 Cg_exo -63.66 125.68 15.98 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.778 2.319 . . . . 0.0 112.39 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.81 151.99 24.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.575 179.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.479 ' HB2' HD11 ' W' ' 478' ' ' ILE . 55.1 t80 -62.86 -34.43 77.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.983 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.16 -29.67 70.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.49 -19.64 23.61 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.125 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' B' ' 621' ' ' LEU . 7.2 mt . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.124 -0.941 . . . . 0.0 110.806 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.226 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . 0.842 ' O ' HG22 ' W' ' 453' ' ' VAL . 0.7 OUTLIER -160.38 152.3 16.77 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 120.775 0.322 . . . . 0.0 110.93 -179.876 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.59 ' O ' HG13 ' W' ' 453' ' ' VAL . 63.3 Cg_exo -51.02 97.17 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.592 2.195 . . . . 0.0 112.385 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.842 HG22 ' O ' ' W' ' 451' ' ' SER . 9.7 m -160.73 66.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.029 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.61 35.26 14.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.779 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 21.8 p -73.9 -44.12 56.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.005 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 34.0 p-10 -117.94 31.24 6.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.133 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 69.9 m-20 -114.94 135.84 53.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.982 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 30.8 mt -155.55 129.85 8.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.887 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -99.73 -101.02 2.33 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.453 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -70.81 59.4 2.15 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.555 2.17 . . . . 0.0 112.232 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.441 HD23 ' HD2' ' W' ' 491' ' ' ARG . 20.8 mt 58.41 167.96 0.07 OUTLIER Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.707 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.428 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 14.2 Cg_exo -68.64 176.16 6.22 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.673 2.249 . . . . 0.0 112.26 -179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.427 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 55.2 Cg_endo -69.81 126.96 13.88 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.539 2.159 . . . . 0.0 112.188 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 91.56 -12.88 68.09 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.602 -179.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.487 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 74.4 m95 -91.33 164.61 13.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.927 0.394 . . . . 0.0 111.19 -179.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.49 142.45 23.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.958 -0.564 . . . . 0.0 111.083 -179.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.16 102.78 14.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.957 179.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 4.5 mmp_? -107.84 152.57 24.22 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.562 179.724 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 65.2 p -90.82 129.93 36.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.976 0.417 . . . . 0.0 111.513 -179.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.431 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 47.1 t60 -78.78 165.06 24.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.867 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.9 -25.38 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.334 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -89.23 -11.68 42.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.639 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.08 30.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.483 -0.865 . . . . 0.0 112.685 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 1.8 mtp85 -75.91 123.17 25.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.764 0.316 . . . . 0.0 110.4 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.637 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.55 111.74 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.929 0.395 . . . . 0.0 111.707 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.473 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 36.2 p90 -92.22 175.94 6.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.76 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -106.74 149.01 27.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.026 179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.935 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -147.27 124.47 3.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.355 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.487 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 35.1 p-10 -95.17 152.68 18.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 11.7 m170 -102.16 -11.26 18.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.765 -179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.9 -49.97 73.93 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.924 0.392 . . . . 0.0 110.557 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.3 pt -131.0 24.91 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.857 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 40.61 79.72 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.679 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.04 122.55 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.028 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.473 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -95.62 165.75 12.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.078 179.733 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -158.8 148.46 19.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.86 0.362 . . . . 0.0 111.114 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 9.3 m95 -73.04 -41.19 64.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.081 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.95 -177.68 0.08 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.328 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.79 115.47 48.63 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -77.73 -33.44 2.27 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.507 2.138 . . . . 0.0 112.836 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.441 ' HD2' HD23 ' W' ' 461' ' ' LEU . 3.0 ptm180 -73.87 -16.32 61.13 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.589 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.7 tpt -82.57 -15.86 50.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.754 -0.203 . . . . 0.0 111.339 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -96.62 62.39 1.98 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.8 0.334 . . . . 0.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.421 ' O ' ' CG1' ' W' ' 495' ' ' VAL . 48.8 m-80 -76.89 -72.27 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.421 ' CG1' ' O ' ' W' ' 494' ' ' ASN . 33.6 m -158.75 42.53 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.201 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' W' ' 497' ' ' ILE . . . -168.81 171.01 8.84 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.071 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.419 ' CG1' ' O ' ' W' ' 496' ' ' ALA . 23.2 mt -157.41 -71.36 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.135 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . 0.465 ' O ' HG23 ' W' ' 498' ' ' THR . 10.5 t -78.0 123.96 27.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.153 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.461 -1.189 . . . . 0.0 112.578 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.286 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.7 t -68.81 -39.37 80.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.729 0.299 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 7.6 p -64.63 -61.68 2.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.985 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.45 HD23 ' O ' ' B' ' 608' ' ' LEU . 0.5 OUTLIER 49.83 58.33 17.54 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.001 179.851 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -68.79 -31.44 25.33 Favored 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.58 2.187 . . . . 0.0 112.233 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 58.7 mt -113.67 87.04 11.39 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.117 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -61.29 -38.55 64.53 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.499 2.132 . . . . 0.0 112.362 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.6 -97.94 0.27 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.506 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 33.9 p -117.22 157.14 47.72 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 120.741 0.305 . . . . 0.0 111.193 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -55.98 159.39 12.21 Favored 'Trans proline' 0 C--N 1.345 0.371 0 C-N-CA 122.543 2.162 . . . . 0.0 112.23 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -47.34 175.07 0.02 OUTLIER 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.561 2.174 . . . . 0.0 112.114 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.431 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 75.8 Cg_exo -49.32 118.06 3.35 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.44 2.093 . . . . 0.0 112.359 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -59.4 152.4 21.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.657 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.935 ' HB2' HD11 ' W' ' 478' ' ' ILE . 31.3 t80 -60.82 -37.77 83.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.834 0.349 . . . . 0.0 110.601 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.401 ' OD1' ' N ' ' B' ' 620' ' ' SER . 9.4 p30 -65.61 -25.6 67.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.608 179.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.401 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.3 OUTLIER -93.89 -19.12 21.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.171 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.441 HD23 ' HA ' ' B' ' 621' ' ' LEU . 8.2 mt . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.228 -0.892 . . . . 0.0 110.811 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.174 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -152.75 144.68 16.65 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.719 0.295 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -72.92 83.88 1.35 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.563 2.175 . . . . 0.0 112.177 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 26.9 m -79.47 -35.94 17.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.353 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -155.66 74.23 0.87 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.142 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 79.7 p -74.94 -63.48 1.25 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.765 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -93.02 135.49 34.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.782 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 175.17 88.12 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.955 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 25.3 mt -109.16 -37.57 5.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.852 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 87.88 -113.03 3.95 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -75.34 59.63 5.47 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 122.436 2.09 . . . . 0.0 112.344 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.842 HD11 ' HB3' ' W' ' 467' ' ' GLU . 9.4 mt 55.86 171.55 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.742 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CD ' ' HB3' ' W' ' 461' ' ' LEU . 6.2 Cg_exo -73.41 168.59 24.37 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.695 2.263 . . . . 0.0 112.071 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -63.04 130.0 27.61 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.513 2.142 . . . . 0.0 111.862 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 90.59 -14.83 61.79 Favored Glycine 0 CA--C 1.519 0.312 0 C-N-CA 120.585 -0.817 . . . . 0.0 112.509 -179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.489 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 73.0 m95 -91.27 162.62 14.55 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.886 0.374 . . . . 0.0 111.177 -179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.84 145.06 25.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.024 -179.567 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.842 ' HB3' HD11 ' W' ' 461' ' ' LEU . 5.9 pt-20 -93.46 102.67 14.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.856 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.525 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -101.24 148.88 24.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.737 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 20.3 p -93.19 123.95 36.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.499 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.43 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 39.4 t60 -79.29 157.71 27.67 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.108 179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 5.6 m -57.54 -21.85 40.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.281 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -88.28 -13.83 39.9 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.435 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.26 -18.61 30.43 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.584 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 5.1 mtt180 -77.79 121.07 23.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.739 0.304 . . . . 0.0 110.355 179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.635 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.8 p -78.71 111.53 15.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.956 0.408 . . . . 0.0 111.347 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.477 ' CE1' ' HB3' ' W' ' 468' ' ' ARG . 48.4 p90 -90.38 175.16 7.2 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.13 179.821 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.467 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 30.7 m-85 -106.44 150.55 25.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.999 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.502 HG23 ' O ' ' W' ' 478' ' ' ILE . 3.2 tt -147.76 123.55 2.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.012 179.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.489 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 34.4 p-10 -95.82 147.49 23.59 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.852 0.358 . . . . 0.0 110.826 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -100.59 -6.11 25.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.839 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 2.0 m-80 -60.83 -47.62 85.53 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.98 0.419 . . . . 0.0 110.593 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.8 pt -129.45 26.71 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.791 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.426 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.77 80.6 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.588 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.2 168.46 24.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.054 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.71 163.33 33.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.962 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -158.37 148.88 20.25 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.824 0.345 . . . . 0.0 111.21 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 12.8 m95 -72.62 -41.25 65.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.975 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -62.03 176.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.1 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -105.65 110.61 64.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.778 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 60.2 Cg_endo -71.72 -31.97 12.38 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.394 2.063 . . . . 0.0 112.409 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 10.4 ptm180 -73.68 -15.45 61.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.465 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 3.0 tpt -83.18 -27.92 29.69 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.873 0.368 . . . . 0.0 110.86 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . 0.516 ' OE1' HG21 ' W' ' 497' ' ' ILE . 0.0 OUTLIER -88.53 64.92 7.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.559 179.819 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -76.91 -62.25 1.71 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.176 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.578 ' O ' HG13 ' W' ' 495' ' ' VAL . 7.4 p -160.05 78.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.319 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.499 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.52 75.62 0.11 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.887 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.516 HG21 ' OE1' ' W' ' 493' ' ' GLN . 0.7 OUTLIER -157.68 52.57 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.103 -179.8 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 38.1 p -65.9 113.32 4.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.181 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.38 -1.234 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.574 -0.21 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 1.8 t -161.59 -53.53 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.88 0.371 . . . . 0.0 110.772 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.426 ' HB ' ' HD3' ' B' ' 609' ' ' PRO . 0.2 OUTLIER 68.09 -66.45 0.22 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.312 179.798 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.52 HD21 ' HB3' ' B' ' 611' ' ' PRO . 0.5 OUTLIER 58.19 62.66 4.78 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.681 -179.878 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.426 ' HD3' ' HB ' ' B' ' 607' ' ' THR . 56.8 Cg_endo -70.97 -31.99 14.28 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.632 2.221 . . . . 0.0 112.354 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 52.7 mt -131.19 80.12 69.19 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.171 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.52 ' HB3' HD21 ' B' ' 608' ' ' LEU . 36.6 Cg_endo -65.68 -39.31 21.18 Favored 'Trans proline' 0 C--N 1.346 0.412 0 C-N-CA 122.536 2.157 . . . . 0.0 112.438 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 32.9 -97.35 0.01 OUTLIER Glycine 0 C--N 1.337 0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 113.839 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 21.1 p -144.66 90.25 6.48 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-O 120.715 0.293 . . . . 0.0 111.063 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.4 152.86 44.2 Favored 'Trans proline' 0 C--N 1.343 0.274 0 C-N-CA 122.651 2.234 . . . . 0.0 112.354 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.459 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.8 Cg_exo -52.43 -173.58 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.529 2.153 . . . . 0.0 112.241 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.459 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 36.7 Cg_exo -57.38 114.14 1.81 Allowed 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.619 2.213 . . . . 0.0 112.287 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -58.56 152.68 17.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.74 179.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 76.2 t80 -59.13 -34.73 72.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.598 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -64.85 -26.63 68.41 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.429 179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.19 -23.3 17.96 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.813 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 56.0 p -61.04 149.64 81.14 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 120.697 0.284 . . . . 0.0 110.722 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.1 Cg_endo -70.4 176.94 6.56 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.522 2.148 . . . . 0.0 112.328 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.1 m -78.96 -24.16 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.121 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -175.14 132.95 0.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 15.9 p -166.18 -57.55 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . 0.439 HD21 HD11 ' W' ' 458' ' ' LEU . 9.8 t-20 -155.44 -73.62 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.75 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 50.39 91.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.06 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.439 HD11 HD21 ' W' ' 456' ' ' ASN . 66.4 mt -115.37 -26.02 7.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.141 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . 0.402 ' O ' ' N ' ' W' ' 461' ' ' LEU . . . 87.97 -148.83 21.13 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.469 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.56 71.01 0.22 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.628 2.219 . . . . 0.0 112.173 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.562 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.4 mt 63.72 169.9 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.895 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 12.3 Cg_exo -70.49 178.46 5.0 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.762 2.308 . . . . 0.0 112.16 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 58.1 Cg_endo -71.86 122.96 8.95 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.479 2.119 . . . . 0.0 111.651 179.367 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . 0.402 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 81.78 38.07 14.87 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.678 -179.28 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.455 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 60.0 m95 -137.6 163.56 30.92 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.839 0.352 . . . . 0.0 110.79 -179.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -151.28 148.1 27.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.322 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.562 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.0 pt-20 -95.5 102.61 14.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.626 179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.578 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -100.36 147.65 25.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.967 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 31.7 p -93.65 124.31 37.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.585 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 17.5 t60 -78.64 158.62 28.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.072 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 38.0 m -57.73 -22.15 44.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.417 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -87.97 -14.28 39.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.377 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.62 30.09 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.506 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -77.54 117.73 19.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.69 0.281 . . . . 0.0 110.347 179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.633 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.9 p -78.69 111.34 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.949 0.404 . . . . 0.0 111.321 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 54.8 p90 -91.12 179.77 5.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.821 179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.509 ' CG ' ' HD2' ' W' ' 490' ' ' PRO . 11.9 m-85 -109.68 151.1 27.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.903 0.382 . . . . 0.0 111.486 -179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.96 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.4 tt -146.19 132.45 13.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.701 179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.434 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.2 p-10 -96.12 161.56 13.91 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.725 0.297 . . . . 0.0 110.953 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . 0.426 ' CE1' ' CZ ' ' B' ' 618' ' ' TYR . 1.1 m-70 -121.7 20.34 10.99 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.517 -179.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.434 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.4 m-80 -90.77 -45.37 8.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.975 0.417 . . . . 0.0 110.562 179.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.2 pt -130.96 28.38 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.566 179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.473 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.5 OUTLIER 44.5 81.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.466 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.22 166.8 29.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.86 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -145.06 163.52 34.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.938 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.4 pt20 -158.53 145.59 17.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.968 0.413 . . . . 0.0 111.14 -179.632 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -71.82 -38.01 70.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.877 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.93 170.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.473 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . 0.4 ' HA ' ' HD2' ' W' ' 490' ' ' PRO . 1.0 OUTLIER -99.75 104.03 25.5 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.891 179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.509 ' HD2' ' CG ' ' W' ' 477' ' ' PHE . 38.0 Cg_endo -66.85 -36.77 22.35 Favored 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.458 2.106 . . . . 0.0 112.232 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.429 ' HB2' HD12 ' W' ' 458' ' ' LEU . 8.2 ptm180 -74.17 -13.84 60.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.521 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -35.04 25.17 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.861 0.362 . . . . 0.0 110.949 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -56.06 122.31 11.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -163.01 -79.52 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.766 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.463 HG12 ' O ' ' W' ' 495' ' ' VAL . 9.8 t 70.81 42.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.107 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.96 -160.9 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.87 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.464 HG22 ' O ' ' W' ' 497' ' ' ILE . 13.3 mm 57.16 37.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.069 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 9.8 t -80.69 134.17 35.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.38 -1.233 . . . . 0.0 112.532 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.172 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 63.3 m -98.8 -33.39 10.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 3.1 m 76.77 -68.65 0.18 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.231 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.4 tp 54.88 62.63 7.79 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.785 -179.86 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 71.2 Cg_endo -74.78 -33.09 5.18 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.646 2.23 . . . . 0.0 112.597 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 59.0 mt -129.91 84.55 60.43 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.295 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_exo -61.88 -59.29 0.29 Allowed 'Trans proline' 0 C--N 1.344 0.297 0 C-N-CA 122.652 2.234 . . . . 0.0 112.319 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.93 -82.91 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.371 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 5.3 p -136.7 140.38 31.86 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 120.663 0.268 . . . . 0.0 111.015 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -54.12 153.4 21.3 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.532 2.155 . . . . 0.0 112.246 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.475 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 51.3 Cg_exo -55.33 -172.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.456 2.104 . . . . 0.0 112.216 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.475 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 49.3 Cg_exo -54.96 120.05 7.52 Favored 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.509 2.14 . . . . 0.0 112.276 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.27 151.84 22.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.957 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.96 ' HB2' HD11 ' W' ' 478' ' ' ILE . 49.4 t80 -63.06 -35.67 81.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -64.42 -24.97 67.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.655 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.74 -23.67 15.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 179.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 13.9 mt . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.299 -0.858 . . . . 0.0 110.935 179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . 0.401 ' N ' ' CD ' ' W' ' 452' ' ' PRO . 0.4 OUTLIER 173.8 -53.72 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.25 0 CA-C-O 120.647 0.261 . . . . 0.0 110.72 179.881 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.554 ' O ' HG22 ' W' ' 453' ' ' VAL . 77.9 Cg_exo -49.93 139.45 33.22 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.521 2.147 . . . . 0.0 112.295 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.554 HG22 ' O ' ' W' ' 452' ' ' PRO . 16.5 m 45.45 -172.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.608 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 17.8 t70 56.51 29.26 15.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.172 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.4 t -166.51 -44.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.074 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 65.76 142.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.693 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -108.94 74.83 0.93 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.987 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 3.2 mt -94.9 -26.92 15.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.829 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 105.74 -147.49 16.26 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.694 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 57.9 Cg_endo -72.0 66.63 3.3 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.55 2.167 . . . . 0.0 112.46 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.974 HD11 ' HB3' ' W' ' 467' ' ' GLU . 11.8 mt 56.59 167.61 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.164 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.448 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 8.9 Cg_exo -71.87 177.1 7.4 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.89 2.393 . . . . 0.0 112.147 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 54.2 Cg_endo -68.94 132.45 24.69 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.602 2.201 . . . . 0.0 112.228 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.25 -10.81 62.48 Favored Glycine 0 CA--C 1.52 0.391 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.75 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.488 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 75.0 m95 -92.15 163.86 13.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.849 0.357 . . . . 0.0 111.136 -179.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.52 144.05 24.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.044 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.974 ' HB3' HD11 ' W' ' 461' ' ' LEU . 9.2 pt-20 -94.07 102.99 15.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.796 179.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.457 ' C ' HG23 ' W' ' 475' ' ' VAL . 5.3 mmp_? -106.88 144.46 33.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.747 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 24.5 p -88.11 127.89 35.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.363 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -78.29 162.04 26.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.97 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.72 -22.4 46.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.405 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -88.67 -12.83 41.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.415 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.62 -18.58 29.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.508 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 72.2 mtt180 -78.15 121.03 23.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.752 179.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.638 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -79.71 111.39 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.482 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 52.3 p90 -91.88 179.07 5.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.83 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.564 ' CE2' HD22 ' W' ' 461' ' ' LEU . 26.8 m-85 -107.01 151.12 25.75 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.163 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.469 HG23 ' O ' ' W' ' 478' ' ' ILE . 2.8 tt -148.77 125.04 2.31 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.148 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.429 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 37.2 p-10 -95.65 151.68 19.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.343 . . . . 0.0 111.06 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.1 m170 -104.25 -7.43 20.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.816 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.429 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.9 m-80 -59.37 -47.05 86.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.827 0.346 . . . . 0.0 110.788 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.9 pt -130.66 28.61 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.991 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.476 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 42.82 80.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.211 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . 0.407 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.59 167.25 26.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.101 -179.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -143.65 163.69 32.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.714 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.434 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.36 144.71 17.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.955 0.407 . . . . 0.0 110.939 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -71.36 -40.05 70.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.835 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.51 -173.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.045 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -115.58 113.95 42.57 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.465 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.1 Cg_endo -72.37 -38.09 3.84 Favored 'Trans proline' 0 C--N 1.346 0.431 0 C-N-CA 122.299 1.999 . . . . 0.0 112.522 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.42 ' O ' ' ND2' ' W' ' 494' ' ' ASN . 12.6 ptm180 -74.07 -23.4 59.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.244 -179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.53 -23.65 27.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.23 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -63.17 81.89 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.159 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.493 ' O ' HG12 ' W' ' 495' ' ' VAL . 8.3 p30 -164.77 -45.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.947 179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.588 ' O ' HG22 ' W' ' 495' ' ' VAL . 14.0 p 44.39 42.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.514 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.87 179.99 3.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.046 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.422 ' O ' ' CG1' ' W' ' 497' ' ' ILE . 0.4 OUTLIER -86.11 56.96 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.559 179.45 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 2.8 p -96.55 132.9 41.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.036 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.084 0 CA-C-O 118.408 -1.218 . . . . 0.0 112.453 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.151 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.7 -48.58 3.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 0.0 111.022 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -119.63 -60.42 1.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.16 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 52.1 61.51 12.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.866 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -67.96 -31.32 31.11 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.649 2.233 . . . . 0.0 112.343 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 26.0 mt -134.1 97.37 15.1 Favored Pre-proline 0 C--N 1.327 -0.371 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.167 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_endo -69.35 -45.62 1.74 Allowed 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.6 2.2 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.16 -54.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 6.0 p -91.67 135.21 27.97 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.541 0.21 . . . . 0.0 111.086 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 80.3 Cg_exo -47.68 160.24 0.44 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.414 2.076 . . . . 0.0 112.169 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . . . . . . . . . 70.5 Cg_exo -50.8 -177.48 0.02 OUTLIER 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.513 2.142 . . . . 0.0 112.277 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . . . . . . . . . 75.8 Cg_exo -49.44 115.25 1.67 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.563 2.176 . . . . 0.0 112.362 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.64 152.65 18.12 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.702 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.407 ' HB2' HD11 ' W' ' 478' ' ' ILE . 35.1 t80 -59.24 -34.17 71.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.675 -179.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -64.23 -25.41 68.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.63 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.12 -24.27 17.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.446 ' HA ' HD23 ' B' ' 621' ' ' LEU . 12.0 mt . . . . . 0 C--O 1.25 1.085 0 CA-C-O 118.171 -0.919 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . 0.434 ' CB ' ' HD3' ' W' ' 452' ' ' PRO . 0.1 OUTLIER -80.1 -53.9 0.9 Allowed Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.716 0.293 . . . . 0.0 110.9 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.434 ' HD3' ' CB ' ' W' ' 451' ' ' SER . 50.6 Cg_exo -53.54 105.21 0.12 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.546 2.164 . . . . 0.0 112.221 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.423 HG13 ' CG ' ' W' ' 454' ' ' ASP . 15.0 p -78.97 -23.4 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.155 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . 0.423 ' CG ' HG13 ' W' ' 453' ' ' VAL . 11.0 m-20 -122.58 -162.31 1.0 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.932 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 0.3 OUTLIER 80.44 -71.42 0.07 Allowed 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.84 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 72.1 m-80 54.08 175.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.785 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -118.38 99.19 6.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.961 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.479 HD11 HD21 ' W' ' 494' ' ' ASN . 33.6 mt -93.6 -24.74 17.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.922 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 100.68 -148.73 18.36 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.202 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . 0.659 ' C ' HD12 ' W' ' 461' ' ' LEU . 17.7 Cg_exo -65.73 69.54 0.36 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.609 2.206 . . . . 0.0 112.045 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.659 HD12 ' C ' ' W' ' 460' ' ' PRO . 1.5 mp 55.77 166.77 0.05 OUTLIER Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.87 179.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_exo -69.87 173.17 11.46 Favored 'Trans proline' 0 C--N 1.343 0.257 0 C-N-CA 122.775 2.317 . . . . 0.0 112.245 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_endo -63.8 134.1 42.12 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.563 2.175 . . . . 0.0 112.135 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.09 -6.6 66.55 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.915 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.512 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 63.9 m95 -92.59 162.94 13.98 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.744 0.307 . . . . 0.0 111.144 -179.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . 0.411 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -149.93 143.57 25.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.429 -179.133 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.498 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.2 pt-20 -97.95 109.23 22.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.527 179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.426 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.2 OUTLIER -119.52 138.66 53.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.352 . . . . 0.0 110.957 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 14.5 t -77.04 129.33 35.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.443 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.406 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 29.0 t60 -77.84 166.23 23.16 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.791 179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.7 m -57.09 -23.38 46.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 26.9 m-20 -89.4 -12.68 39.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.47 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.43 -18.42 30.2 Favored Glycine 0 C--N 1.333 0.372 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.622 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 21.4 mtt180 -77.16 122.46 25.05 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.769 0.319 . . . . 0.0 110.566 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.6 p -79.44 111.96 16.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.642 -179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.499 ' CE2' ' HD2' ' B' ' 616' ' ' PRO . 49.6 p90 -91.21 177.74 6.17 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.908 179.571 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.512 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 32.2 m-85 -107.96 148.87 29.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 179.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.602 HD11 ' HB2' ' B' ' 618' ' ' TYR . 1.5 tt -148.02 125.32 3.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.302 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.478 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 32.2 p-10 -95.09 149.54 21.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.733 0.301 . . . . 0.0 110.741 179.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -105.84 -1.62 24.03 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.423 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.6 m-80 -64.9 -46.4 81.86 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.919 0.39 . . . . 0.0 110.737 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.1 pt -129.09 24.99 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.058 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.462 ' HD2' ' N ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 47.35 78.98 0.07 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.225 179.817 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.75 163.85 37.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.884 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -144.78 164.66 30.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.757 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.417 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.3 pt20 -158.76 148.67 19.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.917 0.389 . . . . 0.0 111.177 -179.721 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 8.8 m95 -72.2 -40.27 67.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.947 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 172.6 1.0 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.156 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -107.37 104.97 54.63 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.761 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.454 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 39.5 Cg_endo -66.75 -37.37 21.16 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.391 2.061 . . . . 0.0 112.292 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.9 ptm180 -74.78 -23.79 58.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.174 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -84.54 -28.37 26.7 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.952 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -95.59 65.66 2.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.479 HD21 HD11 ' W' ' 458' ' ' LEU . 3.9 m-80 -76.82 -64.76 1.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.848 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.458 HG12 ' O ' ' W' ' 495' ' ' VAL . 4.2 t 60.16 30.27 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.205 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.05 117.28 0.65 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.175 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.593 HG22 ' H ' ' W' ' 498' ' ' THR . 0.9 OUTLIER -82.45 177.31 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.644 179.842 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . 0.593 ' H ' HG22 ' W' ' 497' ' ' ILE . 12.6 t -101.86 145.99 28.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.124 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.382 -1.232 . . . . 0.0 112.515 -179.948 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 62.0 m -88.87 -31.11 18.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.848 0.356 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.98 -66.1 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.007 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.3 tp 49.42 64.41 8.63 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 48.7 Cg_endo -68.68 -34.01 20.08 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.556 2.171 . . . . 0.0 112.224 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 53.8 mt -128.5 94.13 36.26 Favored Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.135 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.73 -59.85 0.92 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.569 2.179 . . . . 0.0 112.229 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 137.24 -65.41 0.55 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.55 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 71.7 p -76.31 138.42 67.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.647 0.261 . . . . 0.0 111.227 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -71.92 167.56 26.33 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.536 2.158 . . . . 0.0 112.373 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.473 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 70.0 Cg_exo -51.18 -173.13 0.01 OUTLIER 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.592 2.194 . . . . 0.0 112.491 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.499 ' HD2' ' CE2' ' W' ' 476' ' ' PHE . 70.3 Cg_exo -51.48 120.88 7.55 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.715 2.277 . . . . 0.0 112.507 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -60.54 152.36 26.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.887 179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.602 ' HB2' HD11 ' W' ' 478' ' ' ILE . 77.2 t80 -62.04 -34.48 76.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.69 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' B' ' 620' ' ' SER . 4.6 p30 -65.95 -26.95 67.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.72 179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . 0.405 ' N ' ' OD1' ' B' ' 619' ' ' ASP . 0.1 OUTLIER -94.78 -22.82 17.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.06 179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.1 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.788 -179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.178 0 N-CA-C 112.572 -0.211 . . . . 0.0 112.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 91.3 p -121.04 160.12 46.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.765 0.317 . . . . 0.0 110.905 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -59.54 -50.39 8.28 Favored 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.617 2.211 . . . . 0.0 112.351 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.464 ' O ' HG13 ' W' ' 453' ' ' VAL . 7.1 p -79.32 120.28 30.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.17 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.19 95.85 0.07 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.127 179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 10.9 p -166.16 -159.04 0.36 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.713 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -171.28 97.8 0.2 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.883 0.373 . . . . 0.0 110.914 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -91.71 71.34 5.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.813 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.878 HD22 ' HB2' ' W' ' 491' ' ' ARG . 4.3 pp -83.75 -40.2 19.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.067 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . 0.612 ' N ' HD12 ' W' ' 458' ' ' LEU . . . 61.46 -110.71 3.3 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.666 -0.778 . . . . 0.0 111.846 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 93.0 Cg_endo -79.8 69.17 8.05 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.423 2.082 . . . . 0.0 111.725 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.734 HD11 ' HB3' ' W' ' 467' ' ' GLU . 0.4 OUTLIER 61.31 178.31 0.04 OUTLIER Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.21 -179.35 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.476 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 2.2 Cg_endo -77.43 171.35 17.79 Favored 'Trans proline' 0 N--CA 1.458 -0.614 0 C-N-CA 122.456 2.104 . . . . 0.0 112.033 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_endo -65.44 134.78 39.96 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.573 2.182 . . . . 0.0 112.619 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 77.45 -1.95 64.19 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.803 -0.713 . . . . 0.0 113.21 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.499 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 67.9 m95 -93.51 168.3 11.13 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.086 0.47 . . . . 0.0 111.397 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.46 140.81 20.56 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.793 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.734 ' HB3' HD11 ' W' ' 461' ' ' LEU . 6.8 pt-20 -93.14 102.44 14.75 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.566 179.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.415 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.1 OUTLIER -104.71 144.04 32.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.883 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 69.6 p -88.09 126.82 35.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.345 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . . . . . . . . . 28.4 t60 -77.81 163.42 26.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -57.21 -23.69 49.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.345 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -88.62 -13.08 40.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.567 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.25 -18.45 30.62 Favored Glycine 0 C--N 1.331 0.305 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.632 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 83.5 mtt180 -76.49 119.77 20.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.7 0.286 . . . . 0.0 110.538 179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.625 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.4 p -79.36 111.96 16.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.728 -179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.496 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 45.8 p90 -89.76 -174.49 4.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.996 179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.499 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 40.2 m-85 -115.47 149.05 38.69 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.068 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.64 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.0 tt -148.31 124.33 2.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.269 179.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.469 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 29.4 p-10 -95.09 154.97 16.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.735 0.302 . . . . 0.0 110.808 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -104.74 -12.78 16.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.904 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.1 m-80 -54.04 -48.83 70.12 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.869 0.366 . . . . 0.0 110.729 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.4 pt -130.34 28.33 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.786 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt 41.51 81.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.56 165.87 31.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.865 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.411 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -143.76 162.48 35.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.0 pt20 -158.72 145.35 17.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.973 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 32.0 m95 -71.81 -31.97 67.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.835 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.68 178.89 0.28 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.849 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . 0.413 ' HB3' ' HB2' ' W' ' 492' ' ' MET . 1.1 m-20 -116.65 103.53 52.42 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.01 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.438 ' HG3' ' CH2' ' W' ' 465' ' ' TRP . 63.7 Cg_endo -73.1 -31.99 9.04 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.523 2.149 . . . . 0.0 112.099 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.878 ' HB2' HD22 ' W' ' 458' ' ' LEU . 8.2 ptm180 -74.27 -25.49 59.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.019 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . 0.413 ' HB2' ' HB3' ' W' ' 489' ' ' ASP . 0.0 OUTLIER -85.63 -24.93 26.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.929 -179.889 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -121.88 71.76 1.0 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.038 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.505 ' O ' HG12 ' W' ' 495' ' ' VAL . 39.9 m-80 -76.86 -78.08 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.967 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.602 ' O ' HG22 ' W' ' 495' ' ' VAL . 12.5 p 44.03 37.74 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.597 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.59 ' HB3' ' O ' ' W' ' 495' ' ' VAL . . . 82.13 173.27 0.1 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 8.1 mt 67.01 -68.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.066 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . 0.408 ' N ' ' O ' ' W' ' 496' ' ' ALA . 0.2 OUTLIER -89.89 112.41 23.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.41 -1.217 . . . . 0.0 112.497 179.985 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.222 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 38.7 m -101.48 -35.48 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.811 0.339 . . . . 0.0 110.786 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . 0.413 ' O ' ' HD3' ' B' ' 609' ' ' PRO . 0.2 OUTLIER -85.93 -50.24 7.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.218 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.695 HD21 ' HB3' ' B' ' 611' ' ' PRO . 1.0 OUTLIER -107.13 76.77 0.49 Allowed Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.914 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . 0.413 ' HD3' ' O ' ' B' ' 607' ' ' THR . 74.2 Cg_endo -74.56 -31.89 6.59 Favored 'Trans proline' 0 C--N 1.343 0.281 0 C-N-CA 122.625 2.217 . . . . 0.0 112.397 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 40.7 mt -137.68 97.1 10.36 Favored Pre-proline 0 C--N 1.331 -0.226 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.195 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.695 ' HB3' HD21 ' B' ' 608' ' ' LEU . 50.6 Cg_endo -68.89 -38.97 8.97 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.608 2.205 . . . . 0.0 112.319 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.83 -83.4 0.26 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.415 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 10.3 p -125.11 96.35 39.9 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.644 0.259 . . . . 0.0 111.111 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -55.21 154.33 23.56 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.596 2.198 . . . . 0.0 112.317 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.496 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 52.4 Cg_exo -52.53 -174.38 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.582 2.188 . . . . 0.0 112.215 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.434 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 47.6 Cg_exo -55.69 120.95 9.08 Favored 'Trans proline' 0 C--N 1.343 0.265 0 C-N-CA 122.471 2.114 . . . . 0.0 112.37 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -58.52 152.47 18.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.683 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.64 ' HB2' HD11 ' W' ' 478' ' ' ILE . 91.2 t80 -61.0 -34.59 75.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.724 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -64.81 -28.42 69.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.515 179.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -88.38 -15.74 34.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.322 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.8 mt . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.229 -0.891 . . . . 0.0 110.791 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.198 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 8.6 t -168.96 83.93 0.67 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 120.703 0.287 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.427 ' O ' ' CG2' ' W' ' 453' ' ' VAL . 52.4 Cg_exo -55.03 -26.42 49.73 Favored 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.576 2.184 . . . . 0.0 112.398 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' W' ' 452' ' ' PRO . 60.8 t -158.53 -51.97 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.021 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -174.25 67.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.062 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.39 -34.98 63.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.775 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 58.51 96.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.183 179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -144.09 68.65 1.27 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.676 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.83 -29.62 70.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.074 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 73.54 -134.68 19.62 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.56 -0.829 . . . . 0.0 112.326 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . 0.642 ' C ' HD12 ' W' ' 461' ' ' LEU . 37.9 Cg_endo -65.6 76.5 0.28 Allowed 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.53 2.153 . . . . 0.0 112.503 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.674 ' N ' HD12 ' W' ' 461' ' ' LEU . 1.5 mp 57.24 158.8 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 115.789 -0.642 . . . . 0.0 111.382 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.454 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 16.5 Cg_exo -67.94 177.53 4.21 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.84 2.36 . . . . 0.0 112.165 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.454 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 49.5 Cg_endo -68.95 132.23 24.18 Favored 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.412 2.074 . . . . 0.0 112.168 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.19 -8.95 65.27 Favored Glycine 0 CA--C 1.521 0.419 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.783 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.508 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 58.7 m95 -91.41 164.54 13.79 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-O 121.024 0.44 . . . . 0.0 111.105 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -149.17 -179.65 7.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.636 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.58 ' HB3' HD21 ' W' ' 461' ' ' LEU . 16.5 pt-20 -132.49 102.86 5.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.703 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.3 142.05 39.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.666 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 3.2 p -82.01 127.2 32.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.408 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.408 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 40.4 t60 -78.24 162.06 26.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.791 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.94 -22.45 37.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.52 -179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.66 -13.5 39.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.517 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.27 -18.8 30.23 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.566 -0.826 . . . . 0.0 112.462 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 37.9 mtt180 -77.68 120.68 22.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.664 0.269 . . . . 0.0 110.432 179.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.7 p -78.59 112.03 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.963 0.411 . . . . 0.0 111.408 -179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.46 ' CD1' ' OG1' ' W' ' 485' ' ' THR . 55.5 p90 -88.72 176.34 7.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.934 -0.576 . . . . 0.0 111.006 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.506 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 2.4 m-85 -106.51 149.59 26.95 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.526 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.449 HG23 ' O ' ' W' ' 478' ' ' ILE . 3.4 tt -148.48 126.47 3.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 CA-C-O 120.683 0.277 . . . . 0.0 111.7 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.484 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.7 p-10 -96.03 154.01 17.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.044 179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -101.41 -19.08 15.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.603 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -48.53 -52.27 23.42 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.852 0.358 . . . . 0.0 111.172 -179.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 2.1 pt -126.5 26.94 2.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.91 78.71 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.566 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . 0.409 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.13 166.0 31.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.726 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.46 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 0.1 OUTLIER -143.34 168.96 18.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.911 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -158.69 152.37 23.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 0.0 111.194 -179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -72.91 -46.32 53.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.883 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.16 -179.1 0.2 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.232 -179.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -109.05 121.48 42.74 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.649 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.508 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 72.6 Cg_endo -79.44 -39.27 0.33 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.348 2.032 . . . . 0.0 112.373 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -74.97 -15.94 60.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.282 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 11.3 ttt -83.87 -38.78 20.72 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -71.29 104.8 3.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.107 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -163.89 -63.09 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.825 179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.624 ' O ' HG22 ' W' ' 495' ' ' VAL . 14.6 p -159.95 38.45 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.146 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.531 ' O ' HG23 ' W' ' 497' ' ' ILE . . . 37.62 87.7 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.098 -0.501 . . . . 0.0 112.127 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.531 HG23 ' O ' ' W' ' 496' ' ' ALA . 7.9 pt -158.56 58.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.357 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 1.3 m -119.6 124.35 46.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.356 -1.246 . . . . 0.0 112.466 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.128 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 4.4 t 62.33 -80.66 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 0.0 110.825 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 1.3 m -83.74 -65.64 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.013 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 49.26 59.67 16.63 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.06 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 42.8 Cg_endo -67.62 -33.3 28.74 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.502 2.135 . . . . 0.0 112.126 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 67.0 mt -112.97 88.82 12.52 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.973 179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -49.44 -60.25 0.93 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.591 2.194 . . . . 0.0 112.38 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.99 -98.18 0.27 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.497 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.8 p -103.06 145.95 31.53 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 120.731 0.3 . . . . 0.0 111.181 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -48.08 174.35 0.03 OUTLIER 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.582 2.188 . . . . 0.0 112.345 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.401 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 53.3 Cg_exo -51.81 -176.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.534 2.156 . . . . 0.0 112.407 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.408 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 36.6 Cg_exo -60.28 126.08 19.18 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.665 2.243 . . . . 0.0 112.471 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -59.19 152.55 20.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.783 179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -60.72 -35.33 76.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.633 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -65.22 -42.21 93.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.562 179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.09 -24.09 62.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.853 179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.244 -0.884 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 56.03 174.83 0.04 OUTLIER Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 120.728 0.299 . . . . 0.0 110.898 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.516 ' O ' HG13 ' W' ' 453' ' ' VAL . 41.8 Cg_exo -57.31 165.86 5.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.653 2.235 . . . . 0.0 112.491 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.516 HG13 ' O ' ' W' ' 452' ' ' PRO . 4.8 m -159.7 -43.28 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.806 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' W' ' 455' ' ' SER . 8.1 p-10 -132.5 -45.52 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.673 179.714 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' W' ' 454' ' ' ASP . 1.2 t 80.84 -65.32 0.15 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.056 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 65.4 107.86 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.545 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -85.79 144.1 27.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.197 -179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' W' ' 458' ' ' LEU . 8.2 mt -129.3 -43.52 1.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.642 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 120.46 -149.44 17.6 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.474 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_exo -65.81 61.77 0.42 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.832 2.355 . . . . 0.0 112.281 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.802 HD11 ' HB3' ' W' ' 467' ' ' GLU . 12.5 mt 59.77 169.56 0.07 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.746 -179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.44 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 11.2 Cg_exo -70.68 175.99 8.09 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.774 2.316 . . . . 0.0 112.081 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.44 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 37.0 Cg_endo -65.8 131.67 28.16 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.458 2.105 . . . . 0.0 112.085 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 85.09 -9.54 66.14 Favored Glycine 0 CA--C 1.521 0.409 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.755 -179.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.49 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 64.7 m95 -90.99 162.7 14.61 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.806 0.336 . . . . 0.0 110.982 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.92 144.16 24.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.299 -179.364 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.802 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.4 pt-20 -94.57 102.76 14.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.625 179.395 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.467 ' O ' HG23 ' W' ' 475' ' ' VAL . 0.0 OUTLIER -104.49 147.63 27.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.846 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 37.7 p -89.82 125.74 35.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.59 -179.721 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.432 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 38.7 t60 -78.88 161.75 26.51 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.017 179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 3.0 m -57.8 -22.47 47.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.499 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.2 -13.32 38.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.629 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.56 -18.55 29.74 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.547 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -77.39 122.52 25.27 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.728 0.299 . . . . 0.0 110.424 179.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.641 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.4 p -79.64 111.87 16.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.0 0.429 . . . . 0.0 111.584 -179.505 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' OG1' ' W' ' 485' ' ' THR . 55.6 p90 -90.02 176.25 6.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.977 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.596 ' CD2' HD22 ' W' ' 461' ' ' LEU . 20.6 m-85 -106.92 150.4 26.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.921 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.482 HG23 ' O ' ' W' ' 478' ' ' ILE . 2.9 tt -148.82 123.71 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.243 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.485 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 28.6 p-10 -95.75 150.64 20.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.824 0.345 . . . . 0.0 110.905 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -97.51 -16.76 19.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.704 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -52.47 -48.29 65.99 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.838 0.351 . . . . 0.0 110.667 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -134.05 23.72 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.0 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 40.37 81.49 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.578 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -150.86 123.87 8.73 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.031 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.443 ' OG1' ' CD2' ' W' ' 476' ' ' PHE . 0.6 OUTLIER -96.61 161.93 13.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.067 179.75 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -158.95 141.73 14.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.771 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 31.4 m95 -71.44 -36.29 71.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.946 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -62.05 165.84 5.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -94.95 107.61 32.55 Favored Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.464 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 68.8 Cg_endo -73.77 -34.87 4.98 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.462 2.108 . . . . 0.0 112.267 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 4.8 ptm180 -73.57 -15.37 61.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.369 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -83.18 -29.24 28.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.735 0.302 . . . . 0.0 110.848 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -75.42 65.26 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.779 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 11.9 m120 -76.47 -51.48 11.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.825 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.595 ' O ' ' HB3' ' W' ' 496' ' ' ALA . 59.7 t -81.74 -26.16 9.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.949 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.595 ' HB3' ' O ' ' W' ' 495' ' ' VAL . . . 82.51 -65.25 0.11 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.29 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 2.9 pt -81.54 -179.36 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.265 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . 0.406 ' O ' HG23 ' W' ' 498' ' ' THR . 9.4 t -85.52 125.35 33.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.184 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.426 -1.208 . . . . 0.0 112.483 179.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.133 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 79.7 p -159.96 -72.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.837 0.351 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 2.0 m -133.77 -40.06 0.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.501 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.524 HD21 ' HG3' ' B' ' 611' ' ' PRO . 1.2 tp -110.75 71.09 0.68 Allowed Pre-proline 0 C--N 1.331 -0.218 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.291 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -75.21 -37.23 2.02 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.632 2.221 . . . . 0.0 112.291 179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -152.48 93.56 3.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.524 ' HG3' HD21 ' B' ' 608' ' ' LEU . 52.3 Cg_exo -52.94 -59.62 0.98 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.48 2.12 . . . . 0.0 112.201 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.7 -98.3 0.51 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.934 -0.651 . . . . 0.0 112.28 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 24.7 p -145.04 96.11 5.04 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 120.664 0.268 . . . . 0.0 110.847 179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_exo -43.73 162.3 0.06 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.321 0 C-N-CA 122.639 2.226 . . . . 0.0 112.445 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.411 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.5 Cg_exo -53.07 -176.61 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.483 2.122 . . . . 0.0 112.082 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.432 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 54.2 Cg_exo -51.63 119.37 5.47 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.424 2.082 . . . . 0.0 112.359 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -59.11 152.39 20.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.719 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.473 ' HB2' HD11 ' W' ' 478' ' ' ILE . 70.6 t80 -60.11 -34.09 73.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.694 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -63.78 -24.47 67.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.661 179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.8 -19.33 19.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.144 179.779 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 11.9 mt . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.793 179.928 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -144.84 86.57 7.75 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 120.766 0.317 . . . . 0.0 110.836 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_endo -68.44 65.23 1.14 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.622 2.215 . . . . 0.0 112.147 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 33.9 m -79.57 -25.63 12.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.363 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -148.75 64.47 1.06 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.912 0.387 . . . . 0.0 111.005 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 23.8 p -74.43 -24.47 59.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 22.2 t-20 -137.56 128.33 27.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.012 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -104.21 115.78 31.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.752 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.497 HD12 ' HB2' ' W' ' 491' ' ' ARG . 7.3 mt -104.42 -49.99 3.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.088 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 97.45 -104.72 3.06 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.452 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 89.6 Cg_endo -81.71 57.7 6.45 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.608 2.205 . . . . 0.0 112.411 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.715 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.8 mt 56.24 167.01 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.447 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 10.1 Cg_exo -71.36 177.14 7.01 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.756 2.304 . . . . 0.0 112.224 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.447 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 42.0 Cg_endo -68.14 132.2 25.51 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.554 2.17 . . . . 0.0 112.185 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 84.3 -8.84 66.09 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.73 -179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.51 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 69.1 m95 -91.65 163.08 14.24 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.913 0.387 . . . . 0.0 111.085 -179.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -150.76 140.69 21.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.195 -179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.715 ' HB3' HD11 ' W' ' 461' ' ' LEU . 1.0 OUTLIER -93.59 102.52 14.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.622 179.414 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.429 ' C ' HG23 ' W' ' 475' ' ' VAL . 1.5 mmp_? -108.62 143.43 37.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.832 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 6.8 t -82.74 129.25 34.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.901 0.381 . . . . 0.0 111.285 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.456 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 63.0 t60 -77.89 162.64 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.757 179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 28.2 m -57.03 -23.58 47.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.177 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -89.34 -11.71 42.57 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.59 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.39 -18.33 30.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.708 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -77.28 122.02 24.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.715 0.293 . . . . 0.0 110.464 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.636 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.8 p -78.81 111.6 15.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.017 0.437 . . . . 0.0 111.608 -179.409 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.419 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 52.9 p90 -90.23 174.74 7.44 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.975 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.51 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 10.3 m-85 -106.76 146.91 30.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.66 179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.904 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.7 tt -148.09 125.48 3.06 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.629 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.499 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 37.0 p-10 -94.63 149.62 21.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 0.0 110.962 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' W' ' 483' ' ' LYS . 9.6 m-70 -98.01 -14.86 20.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.662 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -52.39 -48.52 65.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.869 0.366 . . . . 0.0 110.621 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.1 pt -134.23 25.42 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.098 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.46 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.8 OUTLIER 41.43 79.43 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.548 179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -151.85 120.62 6.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.131 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.417 ' HA ' ' HA ' ' W' ' 478' ' ' ILE . 0.0 OUTLIER -98.98 164.82 12.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.397 179.792 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -158.87 150.65 20.91 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.744 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . 0.419 ' CD1' ' HG2' ' B' ' 611' ' ' PRO . 3.7 m95 -72.46 -44.13 62.77 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.22 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -62.02 161.22 11.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.121 -179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . 0.442 ' OD1' ' CE1' ' W' ' 477' ' ' PHE . 36.0 m-20 -91.98 110.53 44.6 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.789 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.47 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 58.6 Cg_endo -70.87 -31.45 15.57 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.448 2.099 . . . . 0.0 112.294 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.497 ' HB2' HD12 ' W' ' 458' ' ' LEU . 8.2 ptm180 -73.93 -14.08 61.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.348 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.32 -33.27 25.94 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.782 0.325 . . . . 0.0 110.813 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -72.75 -56.72 4.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.529 179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 66.06 -78.07 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.177 179.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 58.18 85.55 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.868 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -72.07 164.87 25.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.995 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 46.7 pt -81.97 -25.87 9.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -104.7 142.59 34.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.065 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.347 -1.252 . . . . 0.0 112.554 -179.947 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.131 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 71.3 -65.36 0.35 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.776 0.322 . . . . 0.0 111.029 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 43.4 p -68.82 -32.12 71.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.325 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.657 HD23 ' O ' ' B' ' 608' ' ' LEU . 3.0 tt -116.92 67.37 4.1 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.055 -179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 82.5 Cg_endo -77.66 -33.63 2.24 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.688 2.259 . . . . 0.0 112.444 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.2 pt -151.0 88.84 4.41 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.886 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.638 ' HG3' HD21 ' B' ' 608' ' ' LEU . 68.5 Cg_exo -51.56 -57.17 2.35 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.622 2.215 . . . . 0.0 112.41 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.84 -70.45 0.49 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.626 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 13.3 p -118.94 136.69 24.42 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.62 0.248 . . . . 0.0 111.24 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.5 153.76 33.54 Favored 'Trans proline' 0 C--N 1.346 0.438 0 C-N-CA 122.521 2.147 . . . . 0.0 112.448 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.419 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 53.4 Cg_exo -52.21 175.45 0.07 OUTLIER 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.664 2.243 . . . . 0.0 112.352 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.456 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 40.9 Cg_exo -57.21 124.83 17.12 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.648 2.232 . . . . 0.0 112.46 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.61 152.06 23.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.904 ' HB2' HD11 ' W' ' 478' ' ' ILE . 90.4 t80 -62.16 -40.08 94.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -64.66 -25.05 67.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.802 179.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -90.3 -22.59 21.49 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.034 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.464 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.0 mt . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.849 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.145 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -121.09 161.73 39.04 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 120.699 0.285 . . . . 0.0 111.071 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.25 98.91 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.651 2.234 . . . . 0.0 112.36 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 14.8 t -157.89 -55.53 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -89.28 54.15 2.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.706 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 3.1 m -73.84 -52.77 11.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.835 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -86.41 167.55 14.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.833 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -174.79 114.05 0.16 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.139 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 63.5 mt -106.33 -34.04 7.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.8 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.11 -108.39 3.67 Favored Glycine 0 CA--C 1.518 0.238 0 C-N-CA 120.906 -0.664 . . . . 0.0 112.446 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -72.49 58.41 3.1 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.488 2.126 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' W' ' 467' ' ' GLU . 1.3 mt 55.34 168.77 0.05 OUTLIER Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.449 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 21.5 Cg_exo -65.66 179.11 1.85 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.804 2.336 . . . . 0.0 112.487 -179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.437 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 70.1 Cg_endo -74.95 124.01 8.33 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.532 2.155 . . . . 0.0 111.445 179.163 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . 0.407 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 82.05 38.94 12.19 Favored Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.418 -0.896 . . . . 0.0 111.495 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.449 ' CD1' ' HB2' ' W' ' 462' ' ' PRO . 62.9 m95 -138.26 166.85 23.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.85 0.357 . . . . 0.0 110.405 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -151.95 142.94 23.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.27 -179.494 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.534 ' HB3' HD11 ' W' ' 461' ' ' LEU . 14.9 pt-20 -95.78 102.31 14.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.668 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 2.2 mmp_? -106.71 141.42 38.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.847 0.356 . . . . 0.0 110.843 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 36.4 p -79.76 128.29 33.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.43 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.414 ' CB ' ' O ' ' W' ' 474' ' ' ARG . 69.7 t60 -78.18 163.98 25.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.977 179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 21.7 m -57.99 -25.64 61.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.281 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -89.79 -4.07 57.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.8 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 102.37 -18.52 51.0 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.71 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . 0.414 ' O ' ' CB ' ' W' ' 470' ' ' HIS . 83.2 mtt180 -77.62 122.02 24.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.718 0.294 . . . . 0.0 110.54 179.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.432 HG21 ' HB2' ' W' ' 467' ' ' GLU . 3.3 p -78.62 112.01 16.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.201 0.525 . . . . 0.0 111.393 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.495 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 38.2 p90 -90.7 174.87 7.25 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.85 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -107.24 147.9 29.61 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.318 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.693 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.6 tt -146.78 130.9 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.881 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.446 ' HB3' ' CZ2' ' W' ' 465' ' ' TRP . 28.9 p-10 -95.72 156.96 16.11 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.823 0.344 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -103.93 -18.09 14.74 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -50.25 -51.35 45.35 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.906 0.384 . . . . 0.0 110.792 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.6 pt -134.13 25.16 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.015 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.467 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.1 OUTLIER 43.58 85.93 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.367 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -151.05 122.54 7.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.064 -179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.8 156.21 16.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.905 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 2.5 pt20 -158.24 142.89 16.2 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.952 0.406 . . . . 0.0 110.926 -179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 21.9 m95 -71.85 -38.32 70.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.301 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.67 157.65 14.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.251 -179.665 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -91.29 104.94 10.97 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.753 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.413 ' HD3' ' NE2' ' W' ' 486' ' ' GLN . 39.4 Cg_endo -68.5 -33.83 21.67 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.269 1.98 . . . . 0.0 112.108 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.41 ' HB3' ' HG3' ' W' ' 462' ' ' PRO . 3.0 ptm180 -75.07 -22.6 58.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.075 179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.32 -21.05 27.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.514 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.8 mm-40 -73.64 61.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.73 0.3 . . . . 0.0 111.341 -179.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -165.25 90.69 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.939 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 3.5 t -157.18 87.6 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.078 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . 0.504 ' O ' HG23 ' W' ' 497' ' ' ILE . . . -168.84 138.49 2.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.096 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.504 HG23 ' O ' ' W' ' 496' ' ' ALA . 0.5 OUTLIER -158.56 -43.4 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.357 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 91.9 m -130.74 131.29 44.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.148 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.368 -1.24 . . . . 0.0 112.498 -179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.156 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 20.7 t -68.21 -18.83 64.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.63 0.253 . . . . 0.0 111.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.25 -73.68 0.22 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.77 0.319 . . . . 0.0 111.437 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.41 60.65 1.51 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.816 -179.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.57 -40.87 5.07 Favored 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.659 2.239 . . . . 0.0 112.573 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.5 pt -151.63 92.38 3.67 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.887 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 77.3 Cg_exo -50.15 -39.61 51.47 Favored 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.586 2.191 . . . . 0.0 112.272 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.72 -40.47 1.51 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.536 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 15.1 p -115.49 140.83 26.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 0.0 111.114 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.56 171.94 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.531 2.154 . . . . 0.0 112.41 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.495 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 54.2 Cg_exo -52.62 -173.29 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.626 2.218 . . . . 0.0 112.384 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.47 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 32.3 Cg_exo -58.12 124.85 16.87 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.625 2.217 . . . . 0.0 112.364 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 13.8 t-20 -59.73 152.19 23.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.819 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.693 ' HB2' HD11 ' W' ' 478' ' ' ILE . 25.7 t80 -62.64 -39.84 95.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.63 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -65.41 -30.24 71.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.742 179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -87.81 -19.58 27.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.205 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' B' ' 621' ' ' LEU . 9.0 mt . . . . . 0 C--O 1.248 1.017 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.786 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 112.423 -0.271 . . . . 0.0 112.423 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 97.8 p -169.76 94.14 0.51 Allowed Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 120.811 0.338 . . . . 0.0 110.767 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -76.81 68.35 7.19 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.656 2.237 . . . . 0.0 112.421 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 6.2 t -79.01 -52.68 14.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.071 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -142.1 148.26 38.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 25.2 p -165.79 31.31 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 54.54 170.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -118.74 116.22 26.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' W' ' 458' ' ' LEU . 25.8 mt -104.75 -35.53 7.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.797 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 94.62 -110.01 3.93 Favored Glycine 0 CA--C 1.52 0.35 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.428 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 84.3 Cg_endo -82.66 63.05 7.98 Favored 'Trans proline' 0 C--N 1.346 0.399 0 C-N-CA 122.66 2.24 . . . . 0.0 112.572 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.718 HD11 ' HB3' ' W' ' 467' ' ' GLU . 8.4 mt 60.74 170.31 0.08 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.429 ' CB ' ' HD2' ' W' ' 463' ' ' PRO . 14.0 Cg_exo -70.1 179.24 4.03 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.876 2.384 . . . . 0.0 112.352 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.429 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 68.4 Cg_endo -75.42 122.98 7.32 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.548 2.165 . . . . 0.0 111.368 179.214 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . 0.406 ' O ' ' HA ' ' W' ' 479' ' ' ASN . . . 84.0 38.43 10.3 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.349 -0.929 . . . . 0.0 111.459 -179.052 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.466 ' CE3' ' HB3' ' W' ' 477' ' ' PHE . 60.0 m95 -140.89 164.88 29.04 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.993 0.425 . . . . 0.0 110.882 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -150.83 146.13 26.15 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.889 -179.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.718 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.4 pt-20 -95.49 102.92 14.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.029 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.524 ' O ' HG23 ' W' ' 475' ' ' VAL . 1.2 mmp_? -104.06 147.8 26.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.884 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 12.6 t -89.25 128.71 35.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.574 -179.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.49 ' CE1' ' HD3' ' B' ' 616' ' ' PRO . 57.2 t60 -78.18 160.77 27.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.823 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -57.15 -24.04 51.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.407 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -88.76 -11.47 44.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.621 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.51 -18.53 29.89 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.617 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.0 mtt180 -77.21 120.22 21.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 110.395 179.61 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.642 ' O ' HG13 ' W' ' 475' ' ' VAL . 14.1 p -78.62 111.76 15.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 111.484 -179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.443 ' CD2' ' HB3' ' B' ' 615' ' ' PRO . 41.9 p90 -89.39 -173.78 4.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.631 179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.496 ' CE2' HD22 ' W' ' 461' ' ' LEU . 24.5 m-85 -117.06 148.56 41.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.901 0.382 . . . . 0.0 111.396 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.576 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.9 tt -143.64 133.39 20.79 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.229 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.63 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.441 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 34.0 p-10 -96.45 149.91 21.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.755 0.312 . . . . 0.0 110.988 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -104.25 20.84 17.64 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.496 -179.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.441 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 3.6 m-80 -93.8 -46.26 7.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.024 0.44 . . . . 0.0 110.695 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 5.3 pt -133.97 25.74 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.86 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.3 OUTLIER 42.85 78.78 0.05 OUTLIER 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.432 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 5.6 ttmt -150.89 123.61 8.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.209 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.431 ' OG1' ' CD1' ' W' ' 476' ' ' PHE . 1.0 OUTLIER -96.0 167.21 11.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.685 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.405 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.4 pt20 -158.64 143.62 16.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.894 0.378 . . . . 0.0 110.922 -179.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -71.45 -39.93 70.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.923 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.2 171.88 2.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.142 -179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -99.2 112.92 64.21 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.749 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.455 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 56.8 Cg_endo -72.36 -33.17 9.31 Favored 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 122.427 2.085 . . . . 0.0 112.512 -179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 2.6 ptm180 -73.38 -24.25 60.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.866 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -29.16 24.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -52.7 -44.07 66.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 5.1 p-10 -76.24 134.55 39.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.042 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.414 HG12 ' O ' ' W' ' 495' ' ' VAL . 19.9 t 68.07 57.32 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.253 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -169.92 -43.15 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.212 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.518 HG22 ' O ' ' W' ' 497' ' ' ILE . 2.4 mt 53.94 54.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.075 -179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 19.8 p -73.85 126.21 29.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.091 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.153 0 CA-C-O 118.391 -1.227 . . . . 0.0 112.542 -179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.219 0 N-CA-C 112.417 -0.273 . . . . 0.0 112.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.12 -25.51 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.811 0.339 . . . . 0.0 110.943 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -51.22 66.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.298 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . 0.563 HD21 ' HG3' ' B' ' 611' ' ' PRO . 4.4 tp -41.0 100.16 0.22 Allowed Pre-proline 0 N--CA 1.466 0.337 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.582 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.73 -37.2 3.12 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.536 2.158 . . . . 0.0 112.371 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.6 pt -150.07 111.62 3.3 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.38 179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . 0.563 ' HG3' HD21 ' B' ' 608' ' ' LEU . 33.1 Cg_exo -57.9 -52.21 6.44 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 122.294 1.996 . . . . 0.0 112.216 -179.715 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.7 -77.17 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.578 -0.82 . . . . 0.0 112.672 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 66.9 p -57.04 132.19 80.21 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 120.487 0.184 . . . . 0.0 111.127 -179.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -56.5 158.5 15.71 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 122.525 2.15 . . . . 0.0 112.246 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.443 ' HB3' ' CD2' ' W' ' 476' ' ' PHE . 52.8 Cg_exo -55.41 177.59 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.643 2.229 . . . . 0.0 112.38 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.49 ' HD3' ' CE1' ' W' ' 470' ' ' HIS . 37.7 Cg_exo -57.52 120.01 7.64 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.708 2.272 . . . . 0.0 112.357 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 -59.71 152.18 23.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.888 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.576 ' HB2' HD11 ' W' ' 478' ' ' ILE . 71.8 t80 -62.62 -34.36 76.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.859 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.55 -26.17 68.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.818 179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.0 -21.66 17.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.185 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.445 ' HA ' HD23 ' B' ' 621' ' ' LEU . 10.3 mt . . . . . 0 C--O 1.249 1.035 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.806 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.547 -0.221 . . . . 0.0 112.547 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -178.76 69.44 0.2 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -76.77 123.83 7.12 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . . . . . . . . . 23.1 t -78.96 -63.27 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.022 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -125.02 -40.8 2.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 1.3 m 41.25 -159.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.345 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 25.6 m120 -128.36 71.04 1.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 110.931 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -73.55 111.32 8.57 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 21.8 mt -92.23 -30.32 15.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . 104.89 -136.43 13.1 Favored Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.93 63.22 0.6 Allowed 'Trans proline' 0 C--N 1.344 0.342 0 C-N-CA 122.583 2.189 . . . . 0.0 112.356 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . . . . . . . . . 2.2 mt 58.86 170.27 0.06 OUTLIER Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.089 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . . . . . . . . . 15.8 Cg_exo -69.75 177.48 5.53 Favored 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.881 2.387 . . . . 0.0 112.677 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 9.1 Cg_exo -69.71 119.55 6.48 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.9 2.4 . . . . 0.0 111.456 179.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 82.33 41.63 9.11 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.454 -0.879 . . . . 0.0 111.98 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.497 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 56.8 m95 -140.5 164.48 30.04 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.013 -179.671 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -151.62 147.7 27.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.164 -179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.416 ' CG ' ' O ' ' W' ' 467' ' ' GLU . 8.9 pt-20 -95.52 102.45 14.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.734 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.543 ' O ' HG23 ' W' ' 475' ' ' VAL . 3.5 mmp_? -101.15 146.28 27.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.759 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . . . . . . . . . 1.1 p -92.08 126.45 37.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.472 -179.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.443 ' CG ' ' CH2' ' W' ' 487' ' ' TRP . 25.9 t60 -78.07 158.88 29.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.965 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 2.5 m -57.34 -21.4 35.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.442 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -88.5 -13.39 40.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.37 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.21 -18.83 30.34 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.513 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . . . . . . . . . 84.3 mtt180 -78.16 118.74 20.69 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.704 0.288 . . . . 0.0 110.351 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.619 ' O ' HG13 ' W' ' 475' ' ' VAL . 13.0 p -78.38 111.91 15.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.949 0.405 . . . . 0.0 111.484 -179.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -88.91 -173.47 4.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.75 179.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.471 ' CD2' ' HD2' ' W' ' 490' ' ' PRO . 5.6 m-85 -117.39 149.67 40.14 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.142 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' B' ' 618' ' ' TYR . 3.2 tt -144.79 136.59 21.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.594 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.439 ' HB2' ' ND2' ' W' ' 481' ' ' ASN . 36.3 p-10 -96.52 163.15 13.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.999 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 1.4 m-70 -120.99 19.32 11.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.521 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.439 ' ND2' ' HB2' ' W' ' 479' ' ' ASN . 1.2 m-80 -91.97 -47.15 7.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.886 0.374 . . . . 0.0 110.62 179.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.5 pt -129.12 28.28 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.775 179.708 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.478 ' CD ' ' N ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.76 80.21 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.336 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . 0.408 ' O ' HG13 ' W' ' 478' ' ' ILE . 0.0 OUTLIER -150.7 167.99 25.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.642 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 7.5 t -144.91 167.33 22.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' W' ' 490' ' ' PRO . 3.9 pt20 -158.41 147.21 18.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.874 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . 0.443 ' CH2' ' CG ' ' W' ' 470' ' ' HIS . 6.1 m95 -71.19 -40.12 71.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.662 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -61.82 174.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.02 109.78 62.06 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.497 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 38.9 Cg_endo -67.35 -36.36 20.95 Favored 'Trans proline' 0 C--N 1.345 0.391 0 C-N-CA 122.364 2.042 . . . . 0.0 112.223 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -74.48 -24.45 59.02 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 2.4 tpp -85.7 -25.92 26.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.676 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 11.4 tp-100 -99.81 57.33 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.76 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -76.45 -61.29 2.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.896 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . . . . . . . . . 2.7 t 51.51 84.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.95 119.4 0.72 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.123 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.558 ' O ' HG22 ' W' ' 497' ' ' ILE . 2.5 mp 62.11 56.26 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 76.4 p -81.73 129.67 34.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.253 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.093 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.516 180.0 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.259 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -116.53 -49.82 2.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.876 0.369 . . . . 0.0 110.823 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 63.3 p -130.57 -45.72 1.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.033 179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 1.1 tt -57.67 108.79 1.39 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 81.2 Cg_endo -79.84 -43.38 0.13 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.462 2.108 . . . . 0.0 112.364 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 34.1 mt -136.73 118.94 11.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.71 -45.1 2.48 Favored 'Trans proline' 0 C--N 1.346 0.435 0 C-N-CA 122.374 2.049 . . . . 0.0 112.393 -179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.67 -94.03 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.498 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -127.44 161.3 55.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.69 0.281 . . . . 0.0 111.183 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . 0.402 ' HB3' ' HA ' ' W' ' 486' ' ' GLN . 78.1 Cg_exo -50.29 -176.87 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.497 2.131 . . . . 0.0 112.474 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.463 ' CB ' ' CD ' ' B' ' 616' ' ' PRO . 50.4 Cg_exo -53.68 -173.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.36 0 C-N-CA 122.588 2.192 . . . . 0.0 112.353 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.463 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.7 Cg_exo -54.19 122.51 11.59 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.658 2.239 . . . . 0.0 112.419 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.82 152.4 23.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.88 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.457 ' HB2' HD11 ' W' ' 478' ' ' ILE . 42.3 t80 -61.9 -34.44 76.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.999 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -64.82 -24.99 67.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.773 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -97.2 -20.01 18.22 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.144 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.921 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.177 0 N-CA-C 112.429 -0.268 . . . . 0.0 112.429 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.43 88.62 16.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.423 ' C ' HG23 ' W' ' 453' ' ' VAL . 48.0 Cg_endo -68.74 -35.09 17.09 Favored 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 122.591 2.194 . . . . 0.0 112.418 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.454 HG12 ' O ' ' W' ' 453' ' ' VAL . 4.2 t 73.52 31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.058 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -167.79 33.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.788 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 2.9 t -74.57 -158.6 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.817 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -50.9 94.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.77 0.319 . . . . 0.0 110.923 179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.45 133.42 55.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.874 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -130.06 136.21 49.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . . . . . . . . . . . -96.51 -101.78 2.0 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.516 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -73.94 60.89 4.63 Favored 'Trans proline' 0 C--N 1.344 0.292 0 C-N-CA 122.537 2.158 . . . . 0.0 112.429 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.536 HD21 ' HB3' ' W' ' 467' ' ' GLU . 0.2 OUTLIER 56.97 166.29 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.856 179.87 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.491 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 25.0 Cg_exo -62.19 179.96 0.53 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.513 2.142 . . . . 0.0 111.913 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . 0.448 ' HD2' ' CB ' ' W' ' 462' ' ' PRO . 60.5 Cg_endo -73.33 120.71 6.68 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.425 2.083 . . . . 0.0 112.404 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 93.28 -3.24 72.29 Favored Glycine 0 CA--C 1.52 0.398 0 C-N-CA 120.713 -0.756 . . . . 0.0 113.034 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.503 ' CE2' ' HB3' ' W' ' 479' ' ' ASN . 55.6 m95 -93.72 168.05 11.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.828 0.347 . . . . 0.0 111.403 -179.614 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -151.81 141.94 22.25 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.244 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.536 ' HB3' HD21 ' W' ' 461' ' ' LEU . 1.4 pt-20 -97.01 104.99 17.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.486 179.323 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . 0.508 ' C ' HG23 ' W' ' 475' ' ' VAL . 0.3 OUTLIER -113.46 140.95 47.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.907 0.384 . . . . 0.0 111.22 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . 0.409 ' HA ' ' HA ' ' W' ' 475' ' ' VAL . 44.9 p -79.0 128.69 33.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.203 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.403 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 46.2 t60 -77.52 163.09 26.62 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.83 -23.23 42.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -89.05 -12.18 42.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.454 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.61 -18.62 29.54 Favored Glycine 0 C--N 1.332 0.328 0 C-N-CA 120.678 -0.773 . . . . 0.0 112.646 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . 0.403 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 2.1 mtt180 -78.27 122.09 25.26 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.677 0.275 . . . . 0.0 110.596 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . 0.644 ' O ' HG13 ' W' ' 475' ' ' VAL . 12.5 p -79.38 111.54 16.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.895 0.378 . . . . 0.0 111.471 -179.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.491 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.29 -177.81 5.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.927 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.5 ' HB3' ' CE3' ' W' ' 465' ' ' TRP . 15.2 m-85 -112.76 148.79 34.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.951 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 1.0 OUTLIER -147.57 126.83 4.24 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.215 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.32 -179.782 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . 0.503 ' HB3' ' CE2' ' W' ' 465' ' ' TRP . 26.2 p-10 -96.29 155.79 16.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.756 0.313 . . . . 0.0 110.872 179.484 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -109.13 -7.63 15.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.854 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -59.93 -43.94 94.62 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.948 0.404 . . . . 0.0 110.651 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 3.0 pt -133.52 26.65 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.847 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.47 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 44.13 80.62 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.291 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -151.03 166.75 29.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.002 -179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . 0.568 HG23 ' HB2' ' B' ' 614' ' ' PRO . 1.2 t -145.22 166.9 24.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.873 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -158.44 149.02 20.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.833 0.349 . . . . 0.0 110.946 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 1.8 m95 -72.04 -44.57 63.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.984 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.01 175.28 0.71 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.201 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . 0.429 ' HB2' ' HB3' ' W' ' 492' ' ' MET . 1.4 m-20 -106.65 120.6 47.83 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.728 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . . . . . . . . . 95.6 Cg_endo -83.2 -38.68 0.14 Allowed 'Trans proline' 0 C--N 1.346 0.421 0 C-N-CA 122.436 2.091 . . . . 0.0 112.981 -179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.424 ' HD2' ' HA ' ' W' ' 461' ' ' LEU . 0.4 OUTLIER -74.7 -26.6 59.94 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.181 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . 0.429 ' HB3' ' HB2' ' W' ' 489' ' ' ASP . 0.4 OUTLIER -84.71 -29.89 25.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.83 0.348 . . . . 0.0 110.914 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . . . . . . . . . 6.5 mm-40 -75.78 95.22 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.933 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.519 ' O ' HG12 ' W' ' 495' ' ' VAL . 2.0 p30 -163.3 134.51 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.586 ' O ' HG22 ' W' ' 495' ' ' VAL . 11.6 p 44.48 35.46 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.422 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . -168.75 127.78 1.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.961 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . 0.614 HG22 ' O ' ' W' ' 497' ' ' ILE . 2.0 mp 54.31 23.58 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.064 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 50.5 p -96.48 144.45 26.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.114 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.362 -1.244 . . . . 0.0 112.532 179.986 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.65 -48.51 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.865 0.364 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 36.8 m -102.26 -35.41 8.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.069 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 9.1 tp -112.99 74.57 1.79 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -72.53 -40.12 2.32 Favored 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.547 2.165 . . . . 0.0 112.409 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 2.9 pt -152.84 98.43 2.81 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.902 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.14 -50.25 3.93 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.629 2.219 . . . . 0.0 112.206 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . -136.71 -35.89 0.19 Allowed Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.681 -0.771 . . . . 0.0 113.122 -179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 17.7 p -56.61 149.88 38.46 Favored Pre-proline 0 C--N 1.331 -0.23 0 CA-C-N 116.805 0.303 . . . . 0.0 111.222 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . 0.568 ' HB2' HG23 ' W' ' 485' ' ' THR . 15.0 Cg_endo -57.26 179.55 0.12 Allowed 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.742 2.294 . . . . 0.0 112.453 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.491 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 50.3 Cg_exo -53.67 -172.95 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.644 2.229 . . . . 0.0 112.366 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.474 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 77.0 Cg_exo -50.66 127.63 21.48 Favored 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.707 2.271 . . . . 0.0 112.527 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -60.29 152.39 25.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.961 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.416 ' CD1' HD11 ' W' ' 478' ' ' ILE . 47.0 t80 -61.65 -38.57 88.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.793 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -65.22 -28.11 69.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.855 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.29 -25.71 27.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.775 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' B' ' 621' ' ' LEU . 12.7 mt . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.913 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 450' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.229 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' W' W ' 451' ' ' SER . . . . . 0.654 ' O ' HG22 ' W' ' 453' ' ' VAL . 15.3 t -57.7 150.77 45.25 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 120.664 0.268 . . . . 0.0 110.859 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 452' ' ' PRO . . . . . 0.542 ' O ' HG13 ' W' ' 453' ' ' VAL . 32.4 Cg_exo -61.11 108.12 0.54 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.607 2.204 . . . . 0.0 112.243 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 453' ' ' VAL . . . . . 0.654 HG22 ' O ' ' W' ' 451' ' ' SER . 0.3 OUTLIER -160.53 27.76 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.944 179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 454' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -145.31 86.44 1.76 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.762 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 455' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.23 -158.29 0.33 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.792 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 456' ' ' ASN . . . . . 0.409 ' N ' ' OD1' ' W' ' 456' ' ' ASN . 9.3 p-10 -140.4 69.94 1.35 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.785 0.326 . . . . 0.0 110.869 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 457' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -118.33 98.46 6.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.935 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 458' ' ' LEU . . . . . . . . . . . . . 5.1 mt -68.57 -37.0 79.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 459' ' ' GLY . . . . . 0.418 ' O ' ' N ' ' W' ' 461' ' ' LEU . . . 113.76 -147.55 18.67 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.405 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 460' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_exo -65.68 63.05 0.41 Allowed 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.802 2.335 . . . . 0.0 112.234 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 461' ' ' LEU . . . . . 0.662 HD11 ' HB3' ' W' ' 467' ' ' GLU . 72.3 mt 59.72 165.14 0.09 OUTLIER Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.872 -179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 462' ' ' PRO . . . . . 0.456 ' HB2' ' CD1' ' W' ' 465' ' ' TRP . 24.9 Cg_exo -63.66 172.76 5.27 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.579 2.186 . . . . 0.0 112.454 -179.738 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 463' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -62.63 132.95 39.97 Favored 'Trans proline' 0 C--N 1.344 0.293 0 C-N-CA 122.741 2.294 . . . . 0.0 112.246 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 464' ' ' GLY . . . . . . . . . . . . . . . 80.51 -5.13 65.32 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.728 -0.749 . . . . 0.0 113.161 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 465' ' ' TRP . . . . . 0.475 ' CZ3' ' HG3' ' W' ' 490' ' ' PRO . 45.0 m95 -91.37 164.56 13.8 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 466' ' ' GLU . . . . . 0.421 ' O ' HG22 ' W' ' 478' ' ' ILE . 0.4 OUTLIER -151.29 141.14 21.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.308 -179.335 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 467' ' ' GLU . . . . . 0.662 ' HB3' HD11 ' W' ' 461' ' ' LEU . 12.2 pt-20 -95.86 102.52 14.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.179 179.085 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 468' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -107.0 140.94 38.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.835 0.35 . . . . 0.0 110.892 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 469' ' ' THR . . . . . 0.402 HG23 ' O ' ' W' ' 469' ' ' THR . 13.2 t -81.07 129.66 34.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.41 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 470' ' ' HIS . . . . . 0.419 ' HB2' ' O ' ' W' ' 474' ' ' ARG . 47.0 t60 -78.57 159.04 28.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.742 179.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 471' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.69 -21.64 29.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.35 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 472' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.35 -12.07 41.51 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.446 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 473' ' ' GLY . . . . . . . . . . . . . . . 109.58 -18.7 29.55 Favored Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.579 -179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 474' ' ' ARG . . . . . 0.419 ' O ' ' HB2' ' W' ' 470' ' ' HIS . 25.7 mtt180 -78.6 122.36 25.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.688 0.28 . . . . 0.0 110.585 179.654 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 475' ' ' VAL . . . . . . . . . . . . . 2.8 p -79.63 111.92 17.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.067 0.461 . . . . 0.0 111.294 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 476' ' ' PHE . . . . . 0.494 ' CG ' ' HG2' ' B' ' 615' ' ' PRO . 51.8 p90 -90.25 178.04 6.26 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.987 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 477' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' W' ' 477' ' ' PHE . 8.0 m-85 -111.55 149.46 31.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.272 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 478' ' ' ILE . . . . . 0.448 ' O ' ' HA ' ' W' ' 465' ' ' TRP . 4.0 tt -147.85 137.24 16.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.794 179.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 479' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -97.78 164.73 12.27 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.741 0.305 . . . . 0.0 110.885 179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 480' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -117.84 21.4 12.91 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.194 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 481' ' ' ASN . . . . . 0.484 ' ND2' ' N ' ' W' ' 481' ' ' ASN . 0.0 OUTLIER -93.88 -51.29 4.95 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.066 0.46 . . . . 0.0 110.383 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 482' ' ' ILE . . . . . . . . . . . . . 4.9 pt -129.49 24.61 2.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.79 179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 483' ' ' LYS . . . . . 0.481 ' N ' ' CD ' ' W' ' 483' ' ' LYS . 0.0 OUTLIER 43.95 79.96 0.04 OUTLIER 'General case' 0 C--N 1.333 -0.122 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.588 179.852 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' W' W ' 484' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -151.16 122.68 7.92 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 485' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -96.28 164.49 12.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.137 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 486' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -158.85 142.66 15.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.011 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 487' ' ' TRP . . . . . . . . . . . . . 11.2 m95 -72.39 -35.99 68.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.829 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -62.27 169.43 2.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.154 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 489' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -99.43 113.17 64.68 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 490' ' ' PRO . . . . . 0.475 ' HG3' ' CZ3' ' W' ' 465' ' ' TRP . 74.0 Cg_endo -78.04 -38.21 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.301 2.001 . . . . 0.0 112.728 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 491' ' ' ARG . . . . . 0.41 ' NH1' ' O ' ' W' ' 459' ' ' GLY . 8.3 ptm180 -74.41 -25.53 59.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.123 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 492' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -88.37 17.54 5.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.517 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 493' ' ' GLN . . . . . 0.423 ' HA ' ' NE2' ' W' ' 493' ' ' GLN . 7.2 tp-100 -123.84 55.66 1.26 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.827 0.346 . . . . 0.0 111.065 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 494' ' ' ASN . . . . . 0.423 ' O ' ' CG2' ' W' ' 495' ' ' VAL . 1.4 p-10 -163.33 -45.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 495' ' ' VAL . . . . . 0.423 ' CG2' ' O ' ' W' ' 494' ' ' ASN . 15.9 m 42.8 62.09 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.76 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 496' ' ' ALA . . . . . . . . . . . . . . . 38.6 95.66 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.071 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 497' ' ' ILE . . . . . . . . . . . . . 47.3 pt -81.83 -28.36 9.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' W' W ' 498' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.93 133.75 48.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.199 -179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' W' W ' 499' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.412 -1.216 . . . . 0.0 112.593 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 605' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.544 -0.223 . . . . 0.0 112.544 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 606' ' ' SER . . . . . . . . . . . . . 22.4 m -73.9 -33.22 63.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.868 0.366 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 607' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.46 -39.02 17.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 608' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.11 64.11 3.49 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.79 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 609' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -73.31 -32.47 8.16 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.654 2.236 . . . . 0.0 112.466 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 610' ' ' ILE . . . . . . . . . . . . . 41.5 mt -128.04 93.36 39.44 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.339 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 611' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_exo -49.26 -43.35 37.72 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 122.477 2.118 . . . . 0.0 112.361 179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 612' ' ' GLY . . . . . . . . . . . . . . . 136.81 -83.34 0.26 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.561 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 613' ' ' THR . . . . . . . . . . . . . 40.4 p -81.1 159.78 67.3 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 120.662 0.268 . . . . 0.0 111.225 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 614' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -54.95 163.94 3.78 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.487 2.124 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 615' ' ' PRO . . . . . 0.494 ' HG2' ' CG ' ' W' ' 476' ' ' PHE . 65.6 Cg_exo -51.08 -174.89 0.01 OUTLIER 'Trans proline' 0 C--N 1.345 0.346 0 C-N-CA 122.618 2.212 . . . . 0.0 112.455 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 616' ' ' PRO . . . . . 0.441 ' CD ' ' CB ' ' B' ' 615' ' ' PRO . 50.4 Cg_exo -53.56 135.99 63.02 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.659 2.239 . . . . 0.0 112.31 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 617' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -59.29 152.0 21.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.826 179.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 618' ' ' TYR . . . . . 0.426 ' CD2' ' HG3' ' W' ' 483' ' ' LYS . 47.1 t80 -62.22 -45.1 94.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.042 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 619' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -64.35 -24.56 67.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.862 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 620' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.33 -22.57 38.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.079 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 621' ' ' LEU . . . . . . . . . . . . . 21.9 mt . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.907 -179.901 . . . . . . . . 0 0 . 1 stop_ save_